Geometry & MOs

Info

ID:

449278

PubChem CID:

135297329

Reduced:

N5H33C55 (1)

Stoich.:

A5B33C55 (1)

Weight, g/mol:

637.226646

ΔHf, kcal/mol:

298.95

Dipole, Da:

1.89

IP(EA), eV:

 -8.0(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=CC=CC=C4C(=C3)N5C6=CC=CC=C6C7=CC8=C(C=C75)C9=CC=CC=C9N1C2=CC=CC=C2C2=C1C8=CC=C2)C1=CC=CC=C1

DOS

IR

Vibrations