Geometry & MOs

Info

ID:	6091
PubChem CID:	66955
Reduced:	OC6H12 (2)
Stoich.:	AB6C12 (2)
Weight, g/mol:	200.17763
ΔH_f, kcal/mol:	-145.27
Dipole, Da:	1.77
IP(EA), eV:	-10.78(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutyl heptanoate

Drug info:

PubChemData

Smile

CCCCCCC(=O)OCCC(C)C

DOS

IR

Vibrations