Geometry & MOs

Info

ID:	150922
PubChem CID:	53790619
Reduced:	ClO3C5H7 (1)
Stoich.:	AB3C5D7 (1)
Weight, g/mol:	339.017747
ΔH_f, kcal/mol:	-125.94
Dipole, Da:	7.61
IP(EA), eV:	-10.54(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2,3-dichlorophenyl)-5-methyl-2-oxo-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

COC(=CC(=O)O)CCl

DOS

IR

Vibrations