Geometry & MOs

Info

ID:	45715
PubChem CID:	10516877
Reduced:	OC4H6 (4)
Stoich.:	AB4C6 (4)
Weight, g/mol:	280.025084
ΔH_f, kcal/mol:	-181.48
Dipole, Da:	1.29
IP(EA), eV:	-8.2(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyloxy-1-(4-chlorophenyl)pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C1OC)OC)CC(C)CC(=O)O

DOS

IR

Vibrations