Geometry & MOs

Info

ID:	191963
PubChem CID:	78208357
Reduced:	N2O2C21H30 (1)
Stoich.:	A2B2C21D30 (1)
Weight, g/mol:	356.246378
ΔH_f, kcal/mol:	-105.58
Dipole, Da:	6.94
IP(EA), eV:	-9.39(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCC1CCC2C(C1)CC(C(=O)N2)CN(CC3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations