Geometry & MOs

Info

ID:	270601
PubChem CID:	103637253
Reduced:	BrClNO3C11H17 (1)
Stoich.:	ABCD3E11F17 (1)
Weight, g/mol:	289.03136
ΔH_f, kcal/mol:	-148.56
Dipole, Da:	2.78
IP(EA), eV:	-8.72(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-6-methoxyphenol

Drug info:

PubChemData

Smile

C[C@H](CO)NCC1=C(C(=CC(=C1)Br)OC)O.Cl

DOS

IR

Vibrations