Geometry & MOs

Info

ID:	47448
PubChem CID:	10532768
Reduced:	Cl3N3O7C34H34 (1)
Stoich.:	A3B3C7D34E34 (1)
Weight, g/mol:	705.09257
ΔH_f, kcal/mol:	-240.07
Dipole, Da:	6.12
IP(EA), eV:	-9.53(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[6-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]pyridin-2-yl]phenyl]methyl]quinolin-1-ium-4-amine;dibromide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)OC(=O)N1C[C@H]([C@H]2[C@@H]([C@H]1NC(=O)OCC3=CC=CC=C3)OC(=N2)C(Cl)(Cl)Cl)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)OC(=O)N1C[C@H]([C@H]2[C@@H]([C@H]1NC(=O)OCC3=CC=CC=C3)OC(=N2)C(Cl)(Cl)Cl)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):