Geometry & MOs

Info

ID:	349271
PubChem CID:	127275058
Reduced:	F2N3O3C19H25 (1)
Stoich.:	A2B3C3D19E25 (1)
Weight, g/mol:	379.207133
ΔH_f, kcal/mol:	-215.32
Dipole, Da:	5.73
IP(EA), eV:	-9.37(-0.43)
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]-methylamino]-N-(3,5-difluorophenyl)acetamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC(=CC(=C1)F)F)CC(=O)N2CCOC3C2CCCC3

DOS

IR

Vibrations