Geometry & MOs

Info

ID:	413177
PubChem CID:	135086122
Reduced:	ClSC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	16.52
Dipole, Da:	1.37
IP(EA), eV:	-8.71(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-3-methyl-8-oxo-8-phenylocta-2,6-dienal

Drug info:

PubChemData

Smile

CCC(C=CCl)SC1=CC=CC=C1

DOS

IR

Vibrations