Geometry & MOs

Info

ID:	46816
PubChem CID:	10527525
Reduced:	NSnO4C18H38 (1)
Stoich.:	ABC4D18E38 (1)
Weight, g/mol:	450.11681
ΔH_f, kcal/mol:	-118.79
Dipole, Da:	3.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753377
Charge, e:	0

Chem-info

IUPAC name:

(8bS)-4-benzyl-7-methoxy-3,3,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium;iodide

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)CCCC.C1CC[C@H]([C@@H](C1)O)O[N+](=O)[O-]

DOS

IR

Vibrations