Geometry & MOs

Info

ID:	381481
PubChem CID:	134972235
Reduced:	NO5C34H36 (1)
Stoich.:	AB5C34D36 (1)
Weight, g/mol:	537.251523
ΔH_f, kcal/mol:	-54.65
Dipole, Da:	2.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.773259
Charge, e:	0

Chem-info

IUPAC name:

1-oxido-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3,4,5-tetrahydropyridin-1-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC([C@H]2C(C(C=[N+]2O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations