Geometry & MOs

Info

ID:	29616
PubChem CID:	835808
Reduced:	OSN2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	282.064057
ΔH_f, kcal/mol:	-19.64
Dipole, Da:	3.74
IP(EA), eV:	-8.93(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-5-nitroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCC3

DOS

IR

Vibrations