Geometry & MOs

Info

ID:	179353
PubChem CID:	76469528
Reduced:	N3O4H15C20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	333.074956
ΔH_f, kcal/mol:	11.35
Dipole, Da:	5.56
IP(EA), eV:	-8.64(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC3=C(NC2=C4C=CC(=CC4=O)OC)N=NC3=O

DOS

IR

Vibrations