Geometry & MOs

Info

ID:	149165
PubChem CID:	53788837
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	164.047344
ΔH_f, kcal/mol:	-146.84
Dipole, Da:	5.32
IP(EA), eV:	-9.51(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4a,8a-dihydro-4H-isochromene-1,3-dione

Drug info:

PubChemData

Smile

CNC(=O)CN.C1C2C=CC=CC2C(=O)OC1=O

DOS

IR

Vibrations