Geometry & MOs

Info

ID:	130310
PubChem CID:	51075567
Reduced:	FN2O2C20H23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	324.150764
ΔH_f, kcal/mol:	-96.99
Dipole, Da:	5.48
IP(EA), eV:	-8.97(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-benzylpyrrolidin-1-yl)ethylsulfonyl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=CC=C2)CC(C3=CC=C(C=C3)F)O

DOS

IR

Vibrations