Geometry & MOs

Info

ID:	386989
PubChem CID:	134983626
Reduced:	INH8C9 (1)
Stoich.:	ABC8D9 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	77.16
Dipole, Da:	3.36
IP(EA), eV:	-9.22(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7E,9Z)-11-methyldodeca-7,9-diene-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)/C=C/C=C\I

DOS

IR

Vibrations