Geometry & MOs

Info

ID:	225572
PubChem CID:	85856183
Reduced:	O2N3H7C14 (1)
Stoich.:	A2B3C7D14 (1)
Weight, g/mol:	246.064057
ΔH_f, kcal/mol:	112.45
Dipole, Da:	4.59
IP(EA), eV:	-10.37(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexa-2,5-diene-1,4-dione;4-nitroaniline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)C2=CC(=C(C=C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations