Geometry & MOs

Info

ID:	183006
PubChem CID:	76968570
Reduced:	OC13H23 (2)
Stoich.:	AB13C23 (2)
Weight, g/mol:	390.349781
ΔH_f, kcal/mol:	-163.69
Dipole, Da:	1.42
IP(EA), eV:	-9.48(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5S)-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