Geometry & MOs

Info

ID:	179351
PubChem CID:	76469259
Reduced:	ClO2N3H22C23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	317.080041
ΔH_f, kcal/mol:	5.25
Dipole, Da:	1.31
IP(EA), eV:	-9.19(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-5-phenyl-7H-pyrazolo[3,4-b]pyridin-3-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1OCC2(CC2C(=O)NC3=CC(=CC=C3)Cl)C4=CC=CC=C4)C

DOS

IR

Vibrations