Geometry & MOs

Info

ID:	73016
PubChem CID:	48416807
Reduced:	ON5H15C17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	295.118158
ΔH_f, kcal/mol:	77.31
Dipole, Da:	3.84
IP(EA), eV:	-8.68(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N)C

DOS

IR

Vibrations