Geometry & MOs

Info

ID:

429558

PubChem CID:

135169607

Reduced:

ClF3N7H23C25 (1)

Stoich.:

AB3C7D23E25 (1)

Weight, g/mol:

731.232125

ΔHf, kcal/mol:

25.93

Dipole, Da:

2.51

IP(EA), eV:

 -8.48(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

C/C=C(\C=C(/C(=C)N1N=CC=N1)\Cl)/NC(=C)/C(=C/N)/C(=NC2=CN=C(C3=CC=CC=C32)C)C(F)(F)F

DOS

IR

Vibrations