Geometry & MOs

Info

ID:

222163

PubChem CID:

85294859

Reduced:

SiO25C113H134 (1)

Stoich.:

AB25C113D134 (1)

Weight, g/mol:

142.135765

ΔHf, kcal/mol:

-869.59

Dipole, Da:

1.18

IP(EA), eV:

 -8.93(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6-dimethylhept-4-en-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3C(C(C(C(O3)OC)OCC4=CC=CC=C4)OC5C(C6C(C(O5)COCC7=CC=CC=C7)OC8(CCCCC8(O6)OC)OC)OC9C(C1C(C(O9)COCC2=CC=CC=C2)OC2(CCCCC2(O1)OC)OC)OC1C(C(C(C(O1)COCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

DOS

IR

Vibrations