Geometry & MOs

Info

ID:	293327
PubChem CID:	117384562
Reduced:	ClO2F3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	252.03017
ΔH_f, kcal/mol:	-231.01
Dipole, Da:	4.03
IP(EA), eV:	-9.85(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(5-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-2-methyl-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CCC=O)O)Cl)C(F)(F)F

DOS

IR

Vibrations