Geometry & MOs

Info

ID:	388105
PubChem CID:	134988177
Reduced:	O3C13H26 (1)
Stoich.:	A3B13C26 (1)
Weight, g/mol:	216.136159
ΔH_f, kcal/mol:	-186.7
Dipole, Da:	2.87
IP(EA), eV:	-9.79(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-acetyloxy-4,4-dimethylhexanoate

Drug info:

PubChemData

Smile

CCCOC(=O)C(C)CC(C)(C)OCCC

DOS

IR

Vibrations