Geometry & MOs

Info

ID:	235471
PubChem CID:	92709747
Reduced:	ON5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	356.109169
ΔH_f, kcal/mol:	50.32
Dipole, Da:	6.19
IP(EA), eV:	-8.52(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H](CC(=O)N2CCN(CC2)C3=NC=CC=N3)N4C=CC=C4

DOS

IR

Vibrations