Geometry & MOs

Info

ID:	426576
PubChem CID:	135150327
Reduced:	O2N8H20C23 (1)
Stoich.:	A2B8C20D23 (1)
Weight, g/mol:	416.051459
ΔH_f, kcal/mol:	112.75
Dipole, Da:	8.23
IP(EA), eV:	-8.84(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-cyano-6-[1-(2-methoxyethyl)triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN3C(=C(C=N3)C#N)C(=C2)C4=CN=C(C=C4)N5C6CC5CN(C6)C(=O)O

DOS

IR

Vibrations