Geometry & MOs

Info

ID:	338066
PubChem CID:	127258697
Reduced:	NO3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	211.084458
ΔH_f, kcal/mol:	-131.41
Dipole, Da:	4.99
IP(EA), eV:	-8.61(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E)-2-(5-oxopyrrolidin-2-ylidene)ethyl] 3-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)CC(=O)OC/C=C/1\CCCN1

DOS

IR

Vibrations