Geometry & MOs

Info

ID:	235508
PubChem CID:	92709865
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	282.173213
ΔH_f, kcal/mol:	-46.25
Dipole, Da:	1.81
IP(EA), eV:	-8.75(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(3-methylphenyl)-1-pyrrolidin-1-yl-3-pyrrol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H](CC(=O)NCC2=CC3=C(C=C2)OCO3)N4C=CC=C4

DOS

IR

Vibrations