Geometry & MOs

Info

ID:

395273

PubChem CID:

135025055

Reduced:

N3H6C8 (1)

Stoich.:

A3B6C8 (1)

Weight, g/mol:

372.05136

ΔHf, kcal/mol:

127.87

Dipole, Da:

6.96

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.109279

Charge, e:

 0

Chem-info

IUPAC name:

15-bromo-16-phenyltetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=N[N-]N=C2

DOS

IR

Vibrations