Geometry & MOs

Info

ID:	424583
PubChem CID:	135123234
Reduced:	FO2N4C26H27 (1)
Stoich.:	AB2C4D26E27 (1)
Weight, g/mol:	242.061532
ΔH_f, kcal/mol:	-30.92
Dipole, Da:	3.87
IP(EA), eV:	-8.55(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-difluoropropyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC(C(C1)F)OC2=CC(=CC3=C2NC(=O)C34CCC4)C5=CC=NN5C6=CC=CC=C6

DOS

IR

Vibrations