Geometry & MOs

Info

ID:	109765
PubChem CID:	50296460
Reduced:	O3N4C31H36 (1)
Stoich.:	A3B4C31D36 (1)
Weight, g/mol:	552.169496
ΔH_f, kcal/mol:	-94.67
Dipole, Da:	9.2
IP(EA), eV:	-8.52(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations