Geometry & MOs

Info

ID:	191622
PubChem CID:	78168974
Reduced:	ON3Cl4C5H7 (1)
Stoich.:	AB3C4D5E7 (1)
Weight, g/mol:	309.149557
ΔH_f, kcal/mol:	-70.51
Dipole, Da:	2.45
IP(EA), eV:	-10.44(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-8-yl) benzoate;chloride

Drug info:

PubChemData

Smile

C1(NC(NC(=O)N1)C(Cl)Cl)C(Cl)Cl

DOS

IR

Vibrations