Geometry & MOs

Info

ID:	235453
PubChem CID:	92709693
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	282.173213
ΔH_f, kcal/mol:	-43.74
Dipole, Da:	6.5
IP(EA), eV:	-8.57(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(2-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