Geometry & MOs

Info

ID:	216233
PubChem CID:	85085927
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	12.28
Dipole, Da:	5.32
IP(EA), eV:	-8.69(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-ethyl-4-(2-phenylethenyl)oxadiazol-3-ium-5-yl]-oxidodiazene

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=NNC(=O)C2=CC=CO2)N)N

DOS

IR

Vibrations