Geometry & MOs

Info

ID:	440528
PubChem CID:	135230514
Reduced:	ON4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	379.01816
ΔH_f, kcal/mol:	66.98
Dipole, Da:	7.94
IP(EA), eV:	-8.35(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-(4-iodophenyl)-1H-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

C/C=C\C=C(/C=C)\N1C(=O)N=C(N1)C2=CC=C(C=C2)N

DOS

IR

Vibrations