Geometry & MOs

Info

ID:

378546

PubChem CID:

134224635

Reduced:

N3H31C46 (1)

Stoich.:

A3B31C46 (1)

Weight, g/mol:

538.179361

ΔHf, kcal/mol:

208.32

Dipole, Da:

1.46

IP(EA), eV:

 -7.81(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC8=C(C=C72)C9=C(N8)C1=CC=CC=C1C=C9

DOS

IR

Vibrations