Geometry & MOs

Info

ID:	95255
PubChem CID:	50007543
Reduced:	FO3N4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	456.192818
ΔH_f, kcal/mol:	-145.29
Dipole, Da:	9.27
IP(EA), eV:	-8.87(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations