Geometry & MOs

Info

ID:	323317
PubChem CID:	126674138
Reduced:	BrClO2H10C14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	348.13953
ΔH_f, kcal/mol:	-19.77
Dipole, Da:	2.37
IP(EA), eV:	-9.24(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-(2-methylphenyl)ethyl]phenoxy]propyl methanesulfonate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C=O)COC2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations