Geometry & MOs

Info

ID:	111092
PubChem CID:	50351935
Reduced:	ClO3N4C27H33 (1)
Stoich.:	AB3C4D27E33 (1)
Weight, g/mol:	476.278741
ΔH_f, kcal/mol:	-118.88
Dipole, Da:	5.89
IP(EA), eV:	-8.79(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCCC4

DOS

IR

Vibrations