Geometry & MOs

Info

ID:	400560
PubChem CID:	135048323
Reduced:	NSO7C27H37 (1)
Stoich.:	ABC7D27E37 (1)
Weight, g/mol:	348.217483
ΔH_f, kcal/mol:	-207.38
Dipole, Da:	13.69
IP(EA), eV:	-8.85(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	1

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(OCCO1)CC[N+]23CCCC2C4=CC(=C(C=C4CC3)OC)OC

DOS

IR

Vibrations