Geometry & MOs

Info

ID:

54202

PubChem CID:

15047345

Reduced:

NH14C17 (1)

Stoich.:

AB14C17 (1)

Weight, g/mol:

327.01201

ΔHf, kcal/mol:

83.21

Dipole, Da:

0.68

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.206768

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2-methoxyphenyl)methyl]pyridin-1-ium;iodide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)[N+]3=CC=CC=C3

DOS

IR

Vibrations