Geometry & MOs

Info

ID:	400559
PubChem CID:	135048322
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	519.229074
ΔH_f, kcal/mol:	-41.15
Dipole, Da:	4.01
IP(EA), eV:	-8.93(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,9-dimethoxy-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-4-ium;4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CN1CC[N+](CC1)(C([C@@H]2CCCC[C@H]2O)C3=CC=CC=C3)[O-]

DOS

IR

Vibrations