Geometry & MOs

Info

ID:	2711
PubChem CID:	8354
Reduced:	NO3H7C9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	177.042593
ΔH_f, kcal/mol:	-90.05
Dipole, Da:	4.43
IP(EA), eV:	-10.61(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations