Geometry & MOs

Info

ID:	341954
PubChem CID:	127264647
Reduced:	BrClFNO2C9H10 (1)
Stoich.:	ABCDE2F9G10 (1)
Weight, g/mol:	240.043233
ΔH_f, kcal/mol:	-146.12
Dipole, Da:	4.02
IP(EA), eV:	-9.93(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-2-(2-methoxypyridin-4-yl)ethanol;dihydrochloride

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(CC(=O)O)N)F)Br.Cl

DOS

IR

Vibrations