Geometry & MOs

Info

ID:	254027
PubChem CID:	103122287
Reduced:	NOH3C4 (3)
Stoich.:	ABC3D4 (3)
Weight, g/mol:	257.091275
ΔH_f, kcal/mol:	-32.26
Dipole, Da:	8.68
IP(EA), eV:	-9.14(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=C3C=CC=CN3N=C2)C(=O)O

DOS

IR

Vibrations