Geometry & MOs

Info

ID:	73402
PubChem CID:	48417623
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	339.144373
ΔH_f, kcal/mol:	22.67
Dipole, Da:	5.58
IP(EA), eV:	-9.4(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(1,3,4-trimethyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C(=O)N1C(=C(C=N1)C#N)N)OCC2=CC=CC=C2

DOS

IR

Vibrations