Geometry & MOs

Info

ID:	235464
PubChem CID:	92709719
Reduced:	ON4C23H26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	348.147393
ΔH_f, kcal/mol:	40.22
Dipole, Da:	7.07
IP(EA), eV:	-8.5(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations