Geometry & MOs

Info

ID:	337987
PubChem CID:	127258610
Reduced:	OC5H10 (2)
Stoich.:	AB5C10 (2)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	-133.81
Dipole, Da:	2.06
IP(EA), eV:	-10.7(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-ethylhex-3-enyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(C)(C)CC

DOS

IR

Vibrations