Geometry & MOs

Info

ID:

299965

PubChem CID:

118043591

Reduced:

N6H38C61 (1)

Stoich.:

A6B38C61 (1)

Weight, g/mol:

266.015486

ΔHf, kcal/mol:

341.05

Dipole, Da:

3.93

IP(EA), eV:

 -8.78(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

4-chloro-2-(1-hydroxypyridin-1-ium-3-yl)-N-prop-2-ynyl-1,3-thiazol-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=C(C=C4)C5=CC(=CC=C5)C6=CC(=C7C8=CC=CC9=C8C(=CC=C9)C7=C6C1=CC=CC(=C1)C1=CN=CN=C1)C1=CC(=CC=C1)C1=CN=CN=C1

DOS

IR

Vibrations