Geometry & MOs

Info

ID:

315555

PubChem CID:

126627638

Reduced:

ON5H27C46 (1)

Stoich.:

AB5C27D46 (1)

Weight, g/mol:

590.247047

ΔHf, kcal/mol:

246.23

Dipole, Da:

4.5

IP(EA), eV:

 -8.33(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14,14-dimethyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C=CC(=C2)C3=NC(=NC(=N3)C4=CC=C(C=C4)N5C6=CC=CC=C6C7=C5C8=C(C=C7)C9=CC=CC=C9O8)C1=CC=CC=C1)C#N

DOS

IR

Vibrations