Geometry & MOs

Info

ID:	17978
PubChem CID:	530932
Reduced:	ClO2C7H11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	162.044757
ΔH_f, kcal/mol:	-98.81
Dipole, Da:	2.43
IP(EA), eV:	-10.11(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloroprop-2-enyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC=CCl

DOS

IR

Vibrations