Geometry & MOs

Info

ID:	96990
PubChem CID:	50026783
Reduced:	FO3N4C31H35 (1)
Stoich.:	AB3C4D31E35 (1)
Weight, g/mol:	536.199047
ΔH_f, kcal/mol:	-139.99
Dipole, Da:	8.14
IP(EA), eV:	-8.89(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)C)C

DOS

IR

Vibrations