Geometry & MOs

Info

ID:	401733
PubChem CID:	135052316
Reduced:	BrLiN2C4H4 (1)
Stoich.:	ABC2D4E4 (1)
Weight, g/mol:	294.067428
ΔH_f, kcal/mol:	24.95
Dipole, Da:	4.23
IP(EA), eV:	-8.03(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-aminoquinolin-1-ium-2-yl)prop-2-yn-1-ol;methanesulfonate

Drug info:

PubChemData

Smile

[Li+].CN1C=C(N=[C-]1)Br

DOS

IR

Vibrations