Geometry & MOs

Info

ID:	6820
PubChem CID:	70160
Reduced:	NO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	205.073893
ΔH_f, kcal/mol:	-99.03
Dipole, Da:	5.03
IP(EA), eV:	-10.28(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxypropyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCO

DOS

IR

Vibrations