Geometry & MOs

Info

ID:	184569
PubChem CID:	77176860
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	345.124405
ΔH_f, kcal/mol:	-111.31
Dipole, Da:	2.3
IP(EA), eV:	-8.7(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(1H-indol-6-yl)-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C(C=C1)NC(=O)C2C=NC3=CC=CC=C3C2=O)NC(=O)OC

DOS

IR

Vibrations