Geometry & MOs

Info

ID:	413556
PubChem CID:	135086505
Reduced:	ClOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	222.019605
ΔH_f, kcal/mol:	-12.35
Dipole, Da:	3.67
IP(EA), eV:	-9.43(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-4-ethenyloxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)/C=C\Cl

DOS

IR

Vibrations