Geometry & MOs

Info

ID:

390652

PubChem CID:

135000183

Reduced:

SnC21H43 (1)

Stoich.:

AB21C43 (1)

Weight, g/mol:

230.167065

ΔHf, kcal/mol:

-51.89

Dipole, Da:

0.31

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.754756

Charge, e:

0

Chem-info

IUPAC name:

[(1R,2S,3S)-2-cyclohexyl-3-phenylcyclopropyl]methanol

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C[CH]CC1CCCCC1

DOS

IR

Vibrations