Geometry & MOs

Info

ID:	287344
PubChem CID:	104238012
Reduced:	Cl2N2O2C15H16 (1)
Stoich.:	A2B2C2D15E16 (1)
Weight, g/mol:	330.069258
ΔH_f, kcal/mol:	-42.03
Dipole, Da:	2.95
IP(EA), eV:	-9.26(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-4-(3-methylsulfonylcyclohexyl)oxyphenyl]ethanone

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Cl)COC2=C(C=C(C=C2)C(=O)C)Cl)C

DOS

IR

Vibrations