Geometry & MOs

Info

ID:	407669
PubChem CID:	135080420
Reduced:	ClO2F3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	217.097703
ΔH_f, kcal/mol:	-224.16
Dipole, Da:	3.3
IP(EA), eV:	-9.04(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 4-(1H-pyrazol-2-ium-5-yl)benzoate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C(CC(F)(F)F)Cl

DOS

IR

Vibrations