Geometry & MOs

Info

ID:

183007

PubChem CID:

76968571

Reduced:

OC13H23 (2)

Stoich.:

AB13C23 (2)

Weight, g/mol:

1562.402478

ΔHf, kcal/mol:

-164.81

Dipole, Da:

1.88

IP(EA), eV:

-9.42(0.89)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(1S,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] hexadecanoate;[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] hexadecanoate;[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] hexadecanoate;[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] hexadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@H](CC=C1C)C(=C)C

DOS

IR

Vibrations