Geometry & MOs

Info

ID:	13112
PubChem CID:	221636
Reduced:	O3C10H20 (1)
Stoich.:	A3B10C20 (1)
Weight, g/mol:	188.141244
ΔH_f, kcal/mol:	-165.73
Dipole, Da:	3.03
IP(EA), eV:	-9.92(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxypropan-2-yl hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OC(C)COC

DOS

IR

Vibrations