Geometry & MOs

Info

ID:	386262
PubChem CID:	134981228
Reduced:	IO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	186.140851
ΔH_f, kcal/mol:	-42.48
Dipole, Da:	3.02
IP(EA), eV:	-9.18(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1E)-2,5-dimethylhexa-1,5-dienyl]benzene

Drug info:

PubChemData

Smile

CC(=O)OC/C=C/C1=CC=C(C=C1)I

DOS

IR

Vibrations