Geometry & MOs

Info

ID:	180753
PubChem CID:	76680477
Reduced:	F2O2N5C24H33 (1)
Stoich.:	A2B2C5D24E33 (1)
Weight, g/mol:	189.053826
ΔH_f, kcal/mol:	-159.98
Dipole, Da:	6.24
IP(EA), eV:	-9.03(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CCNC(=O)C(C(C)(C)C)NC(=O)C1=C2CN(C(CCN2C(=N1)C3=CC(=C(C=C3)F)F)C)C

DOS

IR

Vibrations