Geometry & MOs

Info

ID:	61446
PubChem CID:	26709473
Reduced:	ON2F3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	390.191898
ΔH_f, kcal/mol:	-160.57
Dipole, Da:	7.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.004536
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations