Geometry & MOs

Info

ID:	341944
PubChem CID:	127264637
Reduced:	BrClNC9H13 (1)
Stoich.:	ABCD9E13 (1)
Weight, g/mol:	240.043233
ΔH_f, kcal/mol:	-14.57
Dipole, Da:	2.71
IP(EA), eV:	-9.18(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Br)NC.Cl

DOS

IR

Vibrations