Geometry & MOs

Info

ID:

399877

PubChem CID:

135043403

Reduced:

AgN2H12C15 (1)

Stoich.:

AB2C12D15 (1)

Weight, g/mol:

203.072848

ΔHf, kcal/mol:

50.07

Dipole, Da:

14.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.769107

Charge, e:

 0

Chem-info

IUPAC name:

4-butyl-1-methylsulfonyltriazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=[C-]C3=CC=CC=C3C=[N+]2N.[Ag+]

DOS

IR

Vibrations