Geometry & MOs

Info

ID:	39086
PubChem CID:	8139671
Reduced:	ON2F3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	336.144948
ΔH_f, kcal/mol:	-139.14
Dipole, Da:	5.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.002214
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations