Geometry & MOs

Info

ID:	21122
PubChem CID:	587291
Reduced:	Cl2O3H12C16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	322.01635
ΔH_f, kcal/mol:	-91.21
Dipole, Da:	2.11
IP(EA), eV:	-9.76(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-2-oxoethyl] 4-chloro-3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Cl)Cl

DOS

IR

Vibrations