Geometry & MOs

Info

ID:	408920
PubChem CID:	135081692
Reduced:	PH9C13 (1)
Stoich.:	AB9C13 (1)
Weight, g/mol:	182.011627
ΔH_f, kcal/mol:	146.87
Dipole, Da:	1.15
IP(EA), eV:	-8.84(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dioxobicyclo[4.2.0]octa-1,3,5-triene-2,5-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CP=C3

DOS

IR

Vibrations