Geometry & MOs

Info

ID:

425912

PubChem CID:

135130974

Reduced:

ON3H12C21 (2)

Stoich.:

AB3C12D21 (2)

Weight, g/mol:

1034.547192

ΔHf, kcal/mol:

241.35

Dipole, Da:

0.59

IP(EA), eV:

 -8.09(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6-bis(4,12-ditert-butyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC(=C(C=C4C5=NC=CC=N5)N6C7=CC=CC=C7C8=C6OC9=CC=CC=C98)C1=NC=CC=N1)OC1=CC=CC=C13

DOS

IR

Vibrations