Geometry & MOs

Info

ID:	5231
PubChem CID:	12801
Reduced:	OH2C3 (3)
Stoich.:	AB2C3 (3)
Weight, g/mol:	162.031694
ΔH_f, kcal/mol:	-94.19
Dipole, Da:	7.1
IP(EA), eV:	-10.48(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4H-isochromene-1,3-dione

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=O)OC1=O

DOS

IR

Vibrations