Geometry & MOs

Info

ID:	253447
PubChem CID:	103118521
Reduced:	ON4H8C10 (1)
Stoich.:	AB4C8D10 (1)
Weight, g/mol:	279.08079
ΔH_f, kcal/mol:	68.69
Dipole, Da:	3.28
IP(EA), eV:	-9.93(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropanenitrile

Drug info:

PubChemData

Smile

CC(C#N)C(=O)C1=C2C=NC=CN2N=C1

DOS

IR

Vibrations