Geometry & MOs

Info

ID:	175712
PubChem CID:	75940410
Reduced:	ON2F3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	328.176248
ΔH_f, kcal/mol:	-176.85
Dipole, Da:	5.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752674
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)[NH+]1CCCC(C1)CNC(=O)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations