Geometry & MOs

Info

ID:	170682
PubChem CID:	75266925
Reduced:	FOSN2C15H17 (1)
Stoich.:	ABCD2E15F17 (1)
Weight, g/mol:	294.113506
ΔH_f, kcal/mol:	-64.82
Dipole, Da:	3.05
IP(EA), eV:	-8.8(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methyl]-N-ethyl-6-oxopiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SC2C1C(=O)NC(N2)C3=CC(=CC=C3)F)C

DOS

IR

Vibrations