Geometry & MOs

Info

ID:

427786

PubChem CID:

135162851

Reduced:

N2H46C69 (1)

Stoich.:

A2B46C69 (1)

Weight, g/mol:

781.295394

ΔHf, kcal/mol:

279.63

Dipole, Da:

3.8

IP(EA), eV:

 -7.98(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-19-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC6=C(C7=CC=CC=C75)C8=C(C9=CC=CC=C96)N(C1=CC=CC=C18)C1=CC2=CC=CC=C2C=C1)C1=CC2=CC=CC=C2C2=CC=CC=C21)C

DOS

IR

Vibrations