Geometry & MOs

Info

ID:

449276

PubChem CID:

135297320

Reduced:

NH13C21 (2)

Stoich.:

AB13C21 (2)

Weight, g/mol:

713.257946

ΔHf, kcal/mol:

196.72

Dipole, Da:

1.24

IP(EA), eV:

 -8.04(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,21-diazaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=CC=CC=C4C5=CC6=C(C=C53)C7=CC=CC8=C7N(C9=CC=CC=C89)C1=CC=CC=C16

DOS

IR

Vibrations