Geometry & MOs

Info

ID:	235475
PubChem CID:	92709757
Reduced:	FON2C21H21 (1)
Stoich.:	ABC2D21E21 (1)
Weight, g/mol:	318.173213
ΔH_f, kcal/mol:	-33.08
Dipole, Da:	4.94
IP(EA), eV:	-8.76(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations