Geometry & MOs

Info

ID:	260703
PubChem CID:	103200505
Reduced:	BrFO2N3H7C13 (1)
Stoich.:	ABC2D3E7F13 (1)
Weight, g/mol:	269.080041
ΔH_f, kcal/mol:	-17.65
Dipole, Da:	7.8
IP(EA), eV:	-9.88(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations