Geometry & MOs

Info

ID:

428079

PubChem CID:

135166002

Reduced:

N2H14C23 (2)

Stoich.:

A2B14C23 (2)

Weight, g/mol:

815.304896

ΔHf, kcal/mol:

245.02

Dipole, Da:

3.17

IP(EA), eV:

 -7.84(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(3,5-diphenylphenyl)-15-(4,6-diphenyl-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=NC(=NC3=CC=CC=C32)N4C5=C(C6=CC=CC=C64)C7=C(C=C5)N(C8=C7C9=CC=CC=C9C1=CC=CC=C18)C1=CC=CC=C1

DOS

IR

Vibrations