Geometry & MOs

Info

ID:	161626
PubChem CID:	57392177
Reduced:	ON2C13H13 (2)
Stoich.:	AB2C13D13 (2)
Weight, g/mol:	441.18009
ΔH_f, kcal/mol:	23.78
Dipole, Da:	7.58
IP(EA), eV:	-8.66(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-cyclohexylmethylideneamino]-1-(3-nitrophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C3C(=CC(=N2)C(=O)N/N=C/C4CCCCC4)C5=CC=CC=C5N3

DOS

IR

Vibrations