Geometry & MOs

Info

ID:	13550
PubChem CID:	246589
Reduced:	OCl2H4C5 (2)
Stoich.:	AB2C4D5 (2)
Weight, g/mol:	301.92489
ΔH_f, kcal/mol:	-100.85
Dipole, Da:	4.01
IP(EA), eV:	-9.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2,2-trichloro-1-(2-chlorophenyl)ethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl

DOS

IR

Vibrations