Geometry & MOs

Info

ID:	396224
PubChem CID:	135027745
Reduced:	FN2O4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	462.101417
ΔH_f, kcal/mol:	-95.86
Dipole, Da:	3.28
IP(EA), eV:	-9.41(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S)-1-(4-chlorophenyl)-N-[(E)-(4-chlorophenyl)methylideneamino]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide

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

CC1=CC=C(C=C1)[C@@H]2[C@H]([C@@H]([C@@H](N2)C(=O)OC)C3=CC=C(C=C3)F)[N+](=O)[O-]

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

CC1=CC=C(C=C1)[C@@H]2[C@H]([C@@H]([C@@H](N2)C(=O)OC)C3=CC=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):