Geometry & MOs

Info

ID:	27479
PubChem CID:	821555
Reduced:	ClOH6C8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	253.073893
ΔH_f, kcal/mol:	-43.93
Dipole, Da:	4.45
IP(EA), eV:	-9.15(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-phenoxyisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(=O)/C=C/C2=CC=CC=C2Cl)Cl

DOS

IR

Vibrations