Geometry & MOs

Info

ID:	262128
PubChem CID:	103271964
Reduced:	O2N5C12H13 (1)
Stoich.:	A2B5C12D13 (1)
Weight, g/mol:	291.101919
ΔH_f, kcal/mol:	30.59
Dipole, Da:	3.82
IP(EA), eV:	-9.22(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-fluoro-4-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=NC2=NCCC(N2N1)C3=CC=CC=N3

DOS

IR

Vibrations