Geometry & MOs

Info

ID:	260702
PubChem CID:	103200504
Reduced:	F2O2N3H7C13 (1)
Stoich.:	A2B2C3D7E13 (1)
Weight, g/mol:	334.97057
ΔH_f, kcal/mol:	-66.23
Dipole, Da:	6.38
IP(EA), eV:	-9.92(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-bromo-4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CC=NC3=CC(=NN23)C(=O)O)F)F

DOS

IR

Vibrations