Geometry & MOs

Info

ID:	79288
PubChem CID:	49747845
Reduced:	NOSCl2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-21.16
Dipole, Da:	3.57
IP(EA), eV:	-9.21(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-oxo-2-(3-phenylpyrrolidin-1-yl)acetate

Drug info:

PubChemData

Smile

CC(CC1=CC=CS1)NC(=O)C2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations