Geometry & MOs

Info

ID:	29169
PubChem CID:	832130
Reduced:	FN2O4H7C14 (1)
Stoich.:	AB2C4D7E14 (1)
Weight, g/mol:	269.043656
ΔH_f, kcal/mol:	-54.84
Dipole, Da:	3.91
IP(EA), eV:	-9.58(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-2-pyridin-3-ylisoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])F

DOS

IR

Vibrations