Geometry & MOs

Info

ID:	276716
PubChem CID:	103824786
Reduced:	BrClON2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	330.01345
ΔH_f, kcal/mol:	-49.97
Dipole, Da:	6.15
IP(EA), eV:	-8.95(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)-3-methylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)NC1=CC(=C(C=C1)Br)Cl

DOS

IR

Vibrations