Geometry & MOs

Info

ID:

429561

PubChem CID:

135169610

Reduced:

O2N5H25C44 (1)

Stoich.:

A2B5C25D44 (1)

Weight, g/mol:

717.252861

ΔHf, kcal/mol:

209.28

Dipole, Da:

1.78

IP(EA), eV:

 -8.55(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[4-[4-(4,6-diphenyl-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

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=C(C=CC5=CC=CC=C54)C6=C3C7=C(C=C6)N=C(O7)C8=CC=CC=C8)C9=CC1=C(C=C9)OC2=CC=CC=C21

DOS

IR

Vibrations