Geometry & MOs

Info

ID:

429398

PubChem CID:

135169421

Reduced:

N2O3H14C23 (1)

Stoich.:

A2B3C14D23 (1)

Weight, g/mol:

731.232125

ΔHf, kcal/mol:

78.53

Dipole, Da:

5.03

IP(EA), eV:

 -9.23(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-(4-dibenzofuran-3-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

C1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)C4=C(C=CC5=CC=CC=C54)[N+](=O)[O-]

DOS

IR

Vibrations