Geometry & MOs

Info

ID:	341940
PubChem CID:	127264633
Reduced:	ClNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	271.94827
ΔH_f, kcal/mol:	-148.08
Dipole, Da:	3.39
IP(EA), eV:	-9.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CCCN2)C(=O)OC.Cl

DOS

IR

Vibrations