Geometry & MOs

Info

ID:	448774
PubChem CID:	135293522
Reduced:	FN3H6C13 (1)
Stoich.:	AB3C6D13 (1)
Weight, g/mol:	390.191657
ΔH_f, kcal/mol:	76.63
Dipole, Da:	2.62
IP(EA), eV:	-10.42(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-3-piperidin-1-ylpyrazin-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CN=CC(=C2)C#N)F)C#N

DOS

IR

Vibrations