Geometry & MOs

Info

ID:	313228
PubChem CID:	126612713
Reduced:	IO6C17H19 (1)
Stoich.:	AB6C17D19 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	-219.79
Dipole, Da:	4.37
IP(EA), eV:	-9.44(-2.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-2,5-dimethyl-4-(4-methylphenyl)hexa-3,5-dien-2-ol

Drug info:

PubChemData

Smile

CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OI)O

DOS

IR

Vibrations