Geometry & MOs

Info

ID:	48819
PubChem CID:	11528363
Reduced:	NO4C5H11 (1)
Stoich.:	AB4C5D11 (1)
Weight, g/mol:	149.047678
ΔH_f, kcal/mol:	-124.42
Dipole, Da:	2.99
IP(EA), eV:	-10.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-2,3-dihydroisoindol-1-one

Drug info:

PubChemData

Smile

CC(C(C)(C[N+](=O)[O-])O)O

DOS

IR

Vibrations