Geometry & MOs

Info

ID:	196367
PubChem CID:	78815647
Reduced:	OSN3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	425.229012
ΔH_f, kcal/mol:	16.54
Dipole, Da:	3.6
IP(EA), eV:	-9.18(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CC(=O)NCCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations