Geometry & MOs

Info

ID:	143941
PubChem CID:	53284691
Reduced:	OCl2N2C17H24 (1)
Stoich.:	AB2C2D17E24 (1)
Weight, g/mol:	394.101497
ΔH_f, kcal/mol:	-67.0
Dipole, Da:	4.31
IP(EA), eV:	-8.73(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-6-fluorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1CCN(CC1)CC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations