Geometry & MOs

Info

ID:	179352
PubChem CID:	76469527
Reduced:	N3O3H11C18 (1)
Stoich.:	A3B3C11D18 (1)
Weight, g/mol:	361.106256
ΔH_f, kcal/mol:	51.39
Dipole, Da:	3.54
IP(EA), eV:	-8.9(-2.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(NC2=C4C=CC(=O)C=C4O)N=NC3=O

DOS

IR

Vibrations