Geometry & MOs

Info

ID:	383941
PubChem CID:	134976015
Reduced:	O2Cl3C8H13 (1)
Stoich.:	A2B3C8D13 (1)
Weight, g/mol:	293.139386
ΔH_f, kcal/mol:	-143.12
Dipole, Da:	2.21
IP(EA), eV:	-11.08(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 12-chloro-12-nitrododecanoate

Drug info:

PubChemData

Smile

CCCOC(=O)CC(C)C(Cl)(Cl)Cl

DOS

IR

Vibrations