Geometry & MOs

Info

ID:

182096

PubChem CID:

76840243

Reduced:

YC8H8 (1)

Stoich.:

AB8C8 (1)

Weight, g/mol:

344.307916

ΔHf, kcal/mol:

131.72

Dipole, Da:

2.18

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.553416

Charge, e:

 0

Chem-info

IUPAC name:

5-ethenyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane

Drug info:

PubChemData

Smile

[CH2-]CC1=CC=CC=[C-]1.[Y]

DOS

IR

Vibrations