Geometry & MOs

Info

ID:	17946
PubChem CID:	529254
Reduced:	O3C10H18 (1)
Stoich.:	A3B10C18 (1)
Weight, g/mol:	186.125594
ΔH_f, kcal/mol:	-161.96
Dipole, Da:	2.24
IP(EA), eV:	-10.13(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxobutan-2-yl hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OC(C)C(=O)C

DOS

IR

Vibrations