Geometry & MOs

Info

ID:	39127
PubChem CID:	8139735
Reduced:	ON2F3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	350.160598
ΔH_f, kcal/mol:	-149.98
Dipole, Da:	1.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.003832
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations