Geometry & MOs

Info

ID:	125046
PubChem CID:	50907979
Reduced:	O7C21H30 (1)
Stoich.:	A7B21C30 (1)
Weight, g/mol:	350.22458
ΔH_f, kcal/mol:	-270.17
Dipole, Da:	3.42
IP(EA), eV:	-9.55(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-bis(2-phenylethyl)octa-1,7-diene-3,6-diol

Drug info:

PubChemData

Smile

CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)OC)C(=O)CCC(=O)CCC2=CC=CC=C2)OC

DOS

IR

Vibrations