Geometry & MOs

Info

ID:	340845
PubChem CID:	127263280
Reduced:	ClNO3C10H16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	271.94827
ΔH_f, kcal/mol:	-148.66
Dipole, Da:	7.51
IP(EA), eV:	-8.82(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-bromopyridin-4-yl)ethanamine;dihydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@H](CN)CO)O.Cl

DOS

IR

Vibrations