Geometry & MOs

Info

ID:	260701
PubChem CID:	103200464
Reduced:	ClO2N4H9C13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	275.050633
ΔH_f, kcal/mol:	34.53
Dipole, Da:	5.51
IP(EA), eV:	-10.02(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=NN2C(=CC=NC2=N1)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations