Geometry & MOs

Info

ID:

428043

PubChem CID:

135165869

Reduced:

N5H31C49 (1)

Stoich.:

A5B31C49 (1)

Weight, g/mol:

613.226646

ΔHf, kcal/mol:

278.21

Dipole, Da:

3.39

IP(EA), eV:

 -7.88(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)N(C9=C8C1=CC=CC=C1C=C9)C1=CC=CC=C1

DOS

IR

Vibrations