Geometry & MOs

Info

ID:	20716
PubChem CID:	585361
Reduced:	Cl2O2C7H7 (2)
Stoich.:	A2B2C7D7 (2)
Weight, g/mol:	387.96167
ΔH_f, kcal/mol:	-184.14
Dipole, Da:	4.89
IP(EA), eV:	-9.7(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorobutanoyl)-4-methylphenyl] 2,2,2-trichloroethyl carbonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC(=O)OCC(Cl)(Cl)Cl)C(=O)CCCCl

DOS

IR

Vibrations