Geometry & MOs

Info

ID:

14896

PubChem CID:

423596

Reduced:

INOC10H13 (1)

Stoich.:

ABCD10E13 (1)

Weight, g/mol:

290.00419

ΔHf, kcal/mol:

9.31

Dipole, Da:

8.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752231

Charge, e:

 1

Chem-info

IUPAC name:

1-(3-iodooxan-2-yl)pyridin-1-ium

Drug info:

PubChemData

Smile

C1CC(C(OC1)[N+]2=CC=CC=C2)I

DOS

IR

Vibrations