Geometry & MOs

Info

ID:	75266
PubChem CID:	48423257
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	279.219829
ΔH_f, kcal/mol:	-108.97
Dipole, Da:	1.73
IP(EA), eV:	-8.78(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N(CC1=C(C=CC(=C1)OC)OC)C2CC2)OCC3CC3

DOS

IR

Vibrations