Geometry & MOs

Info

ID:	110312
PubChem CID:	50319721
Reduced:	Cl2O3N4C22H24 (1)
Stoich.:	A2B3C4D22E24 (1)
Weight, g/mol:	428.161518
ΔH_f, kcal/mol:	-113.7
Dipole, Da:	7.84
IP(EA), eV:	-8.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-N-(2-chlorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)N

DOS

IR

Vibrations