Geometry & MOs

Info

ID:	56076
PubChem CID:	17404230
Reduced:	OSN4H12C16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	320.090325
ΔH_f, kcal/mol:	51.42
Dipole, Da:	6.04
IP(EA), eV:	-8.72(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC#N

DOS

IR

Vibrations