Geometry & MOs

Info

ID:	220268
PubChem CID:	85177189
Reduced:	NC17H21 (1)
Stoich.:	AB17C21 (1)
Weight, g/mol:	239.107692
ΔH_f, kcal/mol:	36.4
Dipole, Da:	2.71
IP(EA), eV:	-9.24(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindol-2-ium;chloride

Drug info:

PubChemData

Smile

CCCCCC1CC1C2=CC3=CC=CC=C3N=C2

DOS

IR

Vibrations