Geometry & MOs

Info

ID:	73078
PubChem CID:	48416951
Reduced:	ON6H10C14 (1)
Stoich.:	AB6C10D14 (1)
Weight, g/mol:	371.149458
ΔH_f, kcal/mol:	107.82
Dipole, Da:	3.14
IP(EA), eV:	-9.26(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations