Geometry & MOs

Info

ID:

387849

PubChem CID:

134987130

Reduced:

OSH9C10 (1)

Stoich.:

ABC9D10 (1)

Weight, g/mol:

256.051574

ΔHf, kcal/mol:

-3.01

Dipole, Da:

1.07

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.232385

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1,2,3-benzotriazin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C=[S+]1)O

DOS

IR

Vibrations