Geometry & MOs

Info

ID:	182116
PubChem CID:	76846951
Reduced:	INSO4H8C9 (1)
Stoich.:	ABCD4E8F9 (1)
Weight, g/mol:	293.177964
ΔH_f, kcal/mol:	-114.13
Dipole, Da:	8.44
IP(EA), eV:	-9.2(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-5-butyl-4-methyl-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CS(=O)(=O)OC1=C2CNC(=O)C2=C(C=C1)I

DOS

IR

Vibrations