Geometry & MOs

Info

ID:	235587
PubChem CID:	92710101
Reduced:	ClN2O2C21H21 (1)
Stoich.:	AB2C2D21E21 (1)
Weight, g/mol:	348.183778
ΔH_f, kcal/mol:	-25.68
Dipole, Da:	2.89
IP(EA), eV:	-8.45(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(2-ethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations