Geometry & MOs

Info

ID:	235489
PubChem CID:	92709804
Reduced:	ON3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	352.134241
ΔH_f, kcal/mol:	22.87
Dipole, Da:	1.37
IP(EA), eV:	-8.9(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(4-chloro-2-methylphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H](CC(=O)NC2=NC=C(C=C2)C)N3C=CC=C3

DOS

IR

Vibrations