Geometry & MOs

Info

ID:	9093
PubChem CID:	85933
Reduced:	NO3C6H9 (2)
Stoich.:	AB3C6D9 (2)
Weight, g/mol:	286.116486
ΔH_f, kcal/mol:	-248.13
Dipole, Da:	5.95
IP(EA), eV:	-9.67(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-(2-hydroxypropyl) 1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] but-2-enedioate

Drug info:

PubChemData

Smile

CC(COC(=O)C=CC(=O)OCCN1CCNC1=O)O

DOS

IR

Vibrations