Geometry & MOs

Info

ID:

428086

PubChem CID:

135166009

Reduced:

N2H18C29 (2)

Stoich.:

A2B18C29 (2)

Weight, g/mol:

891.336196

ΔHf, kcal/mol:

290.18

Dipole, Da:

6.33

IP(EA), eV:

 -7.73(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(3,5-diphenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC(=C7)C8=NC9=CC=CC=C9C(=N8)C1=CC=CC=C1)C1=C3C2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations