Geometry & MOs

Info

ID:	339589
PubChem CID:	127261579
Reduced:	O3C13H24 (1)
Stoich.:	A3B13C24 (1)
Weight, g/mol:	240.20893
ΔH_f, kcal/mol:	-185.23
Dipole, Da:	1.82
IP(EA), eV:	-10.21(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3,5-trimethylcyclohexyl) hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OC1(CCCCO1)CC

DOS

IR

Vibrations