Geometry & MOs

Info

ID:	262129
PubChem CID:	103271994
Reduced:	FN3O3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	247.106925
ΔH_f, kcal/mol:	-81.25
Dipole, Da:	8.27
IP(EA), eV:	-9.07(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1-methylpyrazol-4-yl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CCN=C3N2NC(=C3)C(=O)O)F

DOS

IR

Vibrations