Geometry & MOs

Info

ID:	192123
PubChem CID:	78232506
Reduced:	ON2C12H18 (2)
Stoich.:	AB2C12D18 (2)
Weight, g/mol:	402.207406
ΔH_f, kcal/mol:	-104.11
Dipole, Da:	4.6
IP(EA), eV:	-8.54(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-cyclopentyl-N-[(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1CCC2C(C1)CC(C(=O)N2)CN(CCN3CCCC3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations