Geometry & MOs

Info

ID:	26769
PubChem CID:	798261
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	318.085186
ΔH_f, kcal/mol:	-37.07
Dipole, Da:	6.26
IP(EA), eV:	-9.15(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-nitro-1,3-dioxoisoindol-2-yl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OCC(=O)NC2=CN=CC=C2

DOS

IR

Vibrations