Geometry & MOs

Info

ID:	126402
PubChem CID:	50964049
Reduced:	N7C15H21 (1)
Stoich.:	A7B15C21 (1)
Weight, g/mol:	344.127326
ΔH_f, kcal/mol:	106.29
Dipole, Da:	1.23
IP(EA), eV:	-8.94(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methoxyphenyl)-6-oxo-1,2,4,5-tetrahydropyrazolo[3,4-b]pyridin-4-yl]benzonitrile

Drug info:

PubChemData

Smile

CN(CC1=CC(=NN1)C2CC2)C3=NC(=NC(=C3)NC4CC4)N

DOS

IR

Vibrations