Geometry & MOs

Info

ID:	294945
PubChem CID:	117507308
Reduced:	ClO4C17H21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	323.97457
ΔH_f, kcal/mol:	-127.22
Dipole, Da:	3.78
IP(EA), eV:	-8.69(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-bromo-1,3-benzodioxol-5-yl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(CC(=O)O)C2CC2)Cl)OCC3CC3

DOS

IR

Vibrations