Geometry & MOs

Info

ID:	339588
PubChem CID:	127261578
Reduced:	O2C17H30 (1)
Stoich.:	A2B17C30 (1)
Weight, g/mol:	228.172545
ΔH_f, kcal/mol:	-144.58
Dipole, Da:	2.02
IP(EA), eV:	-10.38(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyloxan-2-yl) hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OC1(CC2CC1CC2(C)C)CC

DOS

IR

Vibrations