Geometry & MOs

Info

ID:	381757
PubChem CID:	134972584
Reduced:	IN3O4C27H28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	1752.74
ΔH_f, kcal/mol:	5.28
Dipole, Da:	4.15
IP(EA), eV:	-8.74(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	-4

Chem-info

IUPAC name:

N-[4-[4-[bis(4H-naphthalen-4-id-1-yl)amino]phenyl]phenyl]-N-(4H-naphthalen-4-id-1-yl)-4H-naphthalen-4-id-1-amine;rutherfordium

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

C1=CC=C(C=C1)COCC([C@@H]2[C@@H]([C@@H]([C@@H](O2)N=[N+]=[N-])I)OCC3=CC=CC=C3)OCC4=CC=CC=C4

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

C1=CC=C(C=C1)COCC([C@@H]2[C@@H]([C@@H]([C@@H](O2)N=[N+]=[N-])I)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):