Geometry & MOs

Info

ID:	192114
PubChem CID:	78230015
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	404.231122
ΔH_f, kcal/mol:	-134.43
Dipole, Da:	5.49
IP(EA), eV:	-9.41(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1CCC2C(C1)CC(C(=O)N2)CN(C(C)C)C(=O)C3=CN=CC=C3

DOS

IR

Vibrations