Geometry & MOs

Info

ID:	27212
PubChem CID:	819727
Reduced:	ClNOH14C15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	268.06147
ΔH_f, kcal/mol:	-19.99
Dipole, Da:	5.01
IP(EA), eV:	-8.92(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-nitrophenyl)-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C(=CC=C2)Cl)C

DOS

IR

Vibrations