Geometry & MOs

Info

ID:	383752
PubChem CID:	134975655
Reduced:	FCl2O3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	209.045486
ΔH_f, kcal/mol:	-167.21
Dipole, Da:	2.87
IP(EA), eV:	-9.99(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-chloro-6-nitrohexanoate

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1)OC(F)(Cl)Cl

DOS

IR

Vibrations