Geometry & MOs

Info

ID:	265457
PubChem CID:	103523196
Reduced:	BrClNO3C15H15 (1)
Stoich.:	ABCD3E15F15 (1)
Weight, g/mol:	367.02416
ΔH_f, kcal/mol:	-83.91
Dipole, Da:	5.31
IP(EA), eV:	-8.75(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2,4-dimethoxyphenyl)-2-phenylsulfanylethanamine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C(C2=C(C=C(C=C2)Cl)N)O)OC)Br

DOS

IR

Vibrations