Geometry & MOs

Info

ID:

325323

PubChem CID:

126682743

Reduced:

ON3H27C41 (1)

Stoich.:

AB3C27D41 (1)

Weight, g/mol:

372.137497

ΔHf, kcal/mol:

151.57

Dipole, Da:

6.36

IP(EA), eV:

 -8.18(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-8-pyridin-4-yl-8,10,12-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C4=C(C=C2)C5=C(O4)C(=CC=C5)N6C7=CC=CC=C7C8=NC(=NC9=C8C6=CC=C9)C1=CC=CC=C1)C

DOS

IR

Vibrations