Geometry & MOs

Info

ID:	389417
PubChem CID:	134992832
Reduced:	OC12H20 (1)
Stoich.:	AB12C20 (1)
Weight, g/mol:	230.188195
ΔH_f, kcal/mol:	-35.11
Dipole, Da:	2.04
IP(EA), eV:	-9.97(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4S)-4-hydroxypentan-2-yl] octanoate

Drug info:

PubChemData

Smile

CCCCC#CCC/C=C\C(C)O

DOS

IR

Vibrations