Geometry & MOs

Info

ID:	182127
PubChem CID:	76850772
Reduced:	NO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	375.147058
ΔH_f, kcal/mol:	-51.36
Dipole, Da:	4.4
IP(EA), eV:	-9.29(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-methyl-4,7-bis(phenylmethoxy)-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CN1C=CC2=C1C(=O)C(CC2)C=O

DOS

IR

Vibrations