Geometry & MOs

Info

ID:	223956
PubChem CID:	85336275
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	391.150761
ΔH_f, kcal/mol:	-42.55
Dipole, Da:	4.84
IP(EA), eV:	-9.89(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-oxopiperidin-3-yl)methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CCCC(CC(=O)CNO)C2=NC(=NO2)CC3=CC=NC=C3

DOS

IR

Vibrations