Geometry & MOs

Info

ID:	293834
PubChem CID:	117404357
Reduced:	O5H12C14 (1)
Stoich.:	A5B12C14 (1)
Weight, g/mol:	260.079707
ΔH_f, kcal/mol:	-150.42
Dipole, Da:	4.3
IP(EA), eV:	-8.73(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=COC2=C(C3=C(C(=C21)CCCC(=O)O)OC=C3)O

DOS

IR

Vibrations