Geometry & MOs

Info

ID:	52555
PubChem CID:	12015468
Reduced:	O6C12H13 (2)
Stoich.:	A6B12C13 (2)
Weight, g/mol:	348.085855
ΔH_f, kcal/mol:	-388.37
Dipole, Da:	3.31
IP(EA), eV:	-8.79(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dicyano-3,4-dimethoxycyclopenta-2,4-dien-1-ylidene)-4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C2C(=C(C(=C2C(=O)OC)OC)OC)C(=O)OC)C(=C1OC)C(=O)OC)C(=O)OC

DOS

IR

Vibrations