Geometry & MOs

Info

ID:

429548

PubChem CID:

135169597

Reduced:

F3N5C20H26 (1)

Stoich.:

A3B5C20D26 (1)

Weight, g/mol:

807.263425

ΔHf, kcal/mol:

-24.6

Dipole, Da:

2.15

IP(EA), eV:

 -7.76(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,5(9),6,12,14,16,18-nonaene

Drug info:

PubChemData

Smile

CC1NC(=CC=CN1N(C(=C)C)/C(=C\C=C)/N=C(/C(=C\N)/C=C)\C(F)(F)F)C

DOS

IR

Vibrations