Geometry & MOs

Info

ID:	267299
PubChem CID:	103581696
Reduced:	BrClNF2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	336.99028
ΔH_f, kcal/mol:	-49.28
Dipole, Da:	2.88
IP(EA), eV:	-9.56(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(4-bromo-3-chlorophenyl)methylamino]ethylsulfanyl]propan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNCC2=C(C=CC(=C2)F)F)Cl)Br

DOS

IR

Vibrations