Geometry & MOs

Info

ID:

429722

PubChem CID:

135169773

Reduced:

F3N8H27C28 (1)

Stoich.:

A3B8C27D28 (1)

Weight, g/mol:

655.200825

ΔHf, kcal/mol:

30.48

Dipole, Da:

7.74

IP(EA), eV:

 -8.94(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

CCCC1=C(N=CC(=C1)NC(=C)C2=C(N(N=C2)C3=CN=C(C4=CC=CC=C43)C(C)C)C(F)(F)F)N5N=CC=N5

DOS

IR

Vibrations