Geometry & MOs

Info

ID:

10852

PubChem CID:

108522

Reduced:

SN2C12H15 (1)

Stoich.:

AB2C12D15 (1)

Weight, g/mol:

219.095595

ΔHf, kcal/mol:

47.75

Dipole, Da:

2.27

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.055232

Charge, e:

 1

Chem-info

IUPAC name:

N-[2-(3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)ethenyl]aniline

Drug info:

PubChemData

Smile

C[N+]1=C(SCC1)C=CNC2=CC=CC=C2

DOS

IR

Vibrations