Geometry & MOs

Info

ID:	161625
PubChem CID:	57392173
Reduced:	O2N6H18C19 (1)
Stoich.:	A2B6C18D19 (1)
Weight, g/mol:	426.205576
ΔH_f, kcal/mol:	67.27
Dipole, Da:	5.95
IP(EA), eV:	-8.85(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=C(N(C(=C1)C)C2=CC=CC(=C2)C3=NNN=N3)C)/C#N

DOS

IR

Vibrations