Geometry & MOs

Info

ID:	2526
PubChem CID:	7826
Reduced:	OC4H8 (2)
Stoich.:	AB4C8 (2)
Weight, g/mol:	144.11503
ΔH_f, kcal/mol:	-120.8
Dipole, Da:	1.94
IP(EA), eV:	-10.85(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl heptanoate

Drug info:

PubChemData

Smile

CCCCCCC(=O)OC

DOS

IR

Vibrations