Geometry & MOs

Info

ID:	72997
PubChem CID:	48416777
Reduced:	OSN7H11C17 (1)
Stoich.:	ABC7D11E17 (1)
Weight, g/mol:	321.133808
ΔH_f, kcal/mol:	161.62
Dipole, Da:	8.02
IP(EA), eV:	-9.31(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)N3C(=C(C=N3)C#N)N)C4=CC=CS4

DOS

IR

Vibrations