Geometry & MOs

Info

ID:	200782
PubChem CID:	79443368
Reduced:	OSBr2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	351.03894
ΔH_f, kcal/mol:	0.53
Dipole, Da:	0.8
IP(EA), eV:	-9.27(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromophenyl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C(CC2=CC(=CS2)Br)CO

DOS

IR

Vibrations