Geometry & MOs

Info

ID:	13885
PubChem CID:	399584
Reduced:	NPO6C9H16 (1)
Stoich.:	ABC6D9E16 (1)
Weight, g/mol:	265.071524
ΔH_f, kcal/mol:	-306.94
Dipole, Da:	3.43
IP(EA), eV:	-10.07(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-diethoxyphosphoryl-5-hydroxy-2-(hydroxymethyl)-1,2-dihydropyrrol-3-one

Drug info:

PubChemData

Smile

CCOP(=O)(C1=C(NC(C1=O)CO)O)OCC

DOS

IR

Vibrations