Geometry & MOs

Info

ID:	73028
PubChem CID:	48416831
Reduced:	O2N5C15H15 (1)
Stoich.:	A2B5C15D15 (1)
Weight, g/mol:	357.133808
ΔH_f, kcal/mol:	7.35
Dipole, Da:	7.72
IP(EA), eV:	-9.39(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)N1C(=C(C=N1)C#N)N)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations