Geometry & MOs

Info

ID:

385374

PubChem CID:

134978899

Reduced:

BLiC12H21 (1)

Stoich.:

ABC12D21 (1)

Weight, g/mol:

158.13068

ΔHf, kcal/mol:

-18.01

Dipole, Da:

0.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750001

Charge, e:

 0

Chem-info

IUPAC name:

4-propan-2-yloxyhex-5-en-3-ol

Drug info:

PubChemData

Smile

[Li+].[B-]12C3CCCC1CCCC2CCC3

DOS

IR

Vibrations