Geometry & MOs

Info

ID:	30909
PubChem CID:	853764
Reduced:	OCl2N2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	252.102941
ΔH_f, kcal/mol:	-15.63
Dipole, Da:	6.82
IP(EA), eV:	-8.88(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations