Geometry & MOs

Info

ID:	148182
PubChem CID:	53787844
Reduced:	N4H18C19 (1)
Stoich.:	A4B18C19 (1)
Weight, g/mol:	446.174276
ΔH_f, kcal/mol:	105.13
Dipole, Da:	5.11
IP(EA), eV:	-8.64(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxo-1-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl)-9H-pyrido[3,4-b]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=C(C=C2)C(=CC#N)C3=CC=CC=C3)N=C1N

DOS

IR

Vibrations