Geometry & MOs

Info

ID:

413408

PubChem CID:

135086357

Reduced:

ON2C13H13 (1)

Stoich.:

AB2C13D13 (1)

Weight, g/mol:

347.11202

ΔHf, kcal/mol:

26.22

Dipole, Da:

3.07

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.227373

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[N+]1=CC=CC2=C1NC3=C2C=C(C=C3)OC

DOS

IR

Vibrations