Geometry & MOs

Info

ID:	183831
PubChem CID:	77075752
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	214.050905
ΔH_f, kcal/mol:	-138.01
Dipole, Da:	4.79
IP(EA), eV:	-8.38(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-5-methylpyrazol-1-yl)-2-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OCC=C(C)C(=O)OC

DOS

IR

Vibrations