Geometry & MOs

Info

ID:	179354
PubChem CID:	76469529
Reduced:	N3O4H11C18 (1)
Stoich.:	A3B4C11D18 (1)
Weight, g/mol:	417.168856
ΔH_f, kcal/mol:	12.52
Dipole, Da:	5.89
IP(EA), eV:	-9.39(-2.92)
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-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-3-one

Drug info:

PubChemData

Smile

C1=CC(=O)C=CC1=C2C=C3C(=NC2=C4C=CC(=O)C=C4O)NNC3=O

DOS

IR

Vibrations