Geometry & MOs

Info

ID:	17920
PubChem CID:	527657
Reduced:	ClO2C12H23 (1)
Stoich.:	AB2C12D23 (1)
Weight, g/mol:	234.138658
ΔH_f, kcal/mol:	-154.22
Dipole, Da:	2.98
IP(EA), eV:	-10.81(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octyl 3-chlorobutanoate

Drug info:

PubChemData

Smile

CCCCCCCCOC(=O)CC(C)Cl

DOS

IR

Vibrations