Geometry & MOs

Info

ID:	216334
PubChem CID:	85086065
Reduced:	NPO4C11H15 (1)
Stoich.:	ABC4D11E15 (1)
Weight, g/mol:	256.094688
ΔH_f, kcal/mol:	-154.62
Dipole, Da:	2.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.966659
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-3-prop-2-enyloxolane-2,4-dione

Drug info:

PubChemData

Smile

CCOP(=O)(C(=N[O])C1=CC=CC=C1)OCC

DOS

IR

Vibrations