Geometry & MOs

Info

ID:

325321

PubChem CID:

126682731

Reduced:

N5H27C44 (1)

Stoich.:

A5B27C44 (1)

Weight, g/mol:

372.137497

ΔHf, kcal/mol:

248.61

Dipole, Da:

3.14

IP(EA), eV:

 -7.97(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-8-pyridin-2-yl-4,6,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC4=CC(=CC(=C43)C5=NC=NC=C52)N6C7=CC=CC=C7C8=C6C9=C(C=C8)C1=CC=CC=C1N9C1=CC=CC=C1

DOS

IR

Vibrations