Geometry & MOs

Info

ID:	438668
PubChem CID:	135228418
Reduced:	NO5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	239.090606
ΔH_f, kcal/mol:	-176.44
Dipole, Da:	4.09
IP(EA), eV:	-9.87(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N'-oxo-N-[1-(2-oxopyrrolidin-1-yl)ethyl]but-2-enediamide

Drug info:

PubChemData

Smile

CC(N1CCCC1=O)OC(=O)/C=C\C2C(O2)OC

DOS

IR

Vibrations