Geometry & MOs

Info

ID:	226958
PubChem CID:	87559228
Reduced:	ZrO4F12H26C27 (1)
Stoich.:	AB4C12D26E27 (1)
Weight, g/mol:	262.229666
ΔH_f, kcal/mol:	-649.65
Dipole, Da:	9.75
IP(EA), eV:	-6.55(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraen-1-ol

Drug info:

PubChemData

Smile

CCCO.CC1=C(C(=C(C(=C1F)F)CO)F)F.CC1=C(C(=C(C(=C1F)F)CO)F)F.CC1=C(C(=C(C(=C1F)F)CO)F)F.[Zr]

DOS

IR

Vibrations