Geometry & MOs

Info

ID:	2512
PubChem CID:	7797
Reduced:	O2C9H18 (1)
Stoich.:	A2B9C18 (1)
Weight, g/mol:	158.13068
ΔH_f, kcal/mol:	-129.6
Dipole, Da:	1.76
IP(EA), eV:	-10.77(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl heptanoate

Drug info:

PubChemData

Smile

CCCCCCC(=O)OCC

DOS

IR

Vibrations