Geometry & MOs

Info

ID:

401065

PubChem CID:

135049959

Reduced:

N3O3C16H16 (1)

Stoich.:

A3B3C16D16 (1)

Weight, g/mol:

348.088067

ΔHf, kcal/mol:

-3.79

Dipole, Da:

3.64

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.834682

Charge, e:

 1

Chem-info

IUPAC name:

N,N,5-triphenyl-3,4-dihydrodithiol-1-ium-3-amine

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)C(CN2C=CC=C2)C(=O)C=[N+]=N

DOS

IR

Vibrations