Geometry & MOs

Info

ID:	13139
PubChem CID:	221919
Reduced:	Cl2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	274.052735
ΔH_f, kcal/mol:	-104.5
Dipole, Da:	3.44
IP(EA), eV:	-9.5(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dichlorophenyl)methyl hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OCC1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations