Geometry & MOs

Info

ID:	1298
PubChem CID:	4115
Reduced:	O2Cl3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	344.013763
ΔH_f, kcal/mol:	-59.58
Dipole, Da:	4.41
IP(EA), eV:	-8.82(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl

DOS

IR

Vibrations