Geometry & MOs

Info

ID:	2931
PubChem CID:	8878
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-104.45
Dipole, Da:	1.77
IP(EA), eV:	-10.42(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl heptanoate

Drug info:

PubChemData

Smile

CCCCCCC(=O)OCC=C

DOS

IR

Vibrations