Geometry & MOs

Info

ID:	183005
PubChem CID:	76968569
Reduced:	OC13H23 (2)
Stoich.:	AB13C23 (2)
Weight, g/mol:	390.349781
ΔH_f, kcal/mol:	-162.57
Dipole, Da:	2.37
IP(EA), eV:	-9.42(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(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