Geometry & MOs

Info

ID:

428105

PubChem CID:

135166075

Reduced:

O2N4H30C53 (1)

Stoich.:

A2B4C30D53 (1)

Weight, g/mol:

765.289246

ΔHf, kcal/mol:

225.43

Dipole, Da:

0.8

IP(EA), eV:

 -8.38(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4,6-diphenylpyridin-2-yl)-14-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[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=CC=C(C=C2)C3=NC(=NC(=N3)N4C5=C(C6=CC=CC=C64)C7=C(C=C5)OC8=C7C9=CC=CC=C9C1=CC=CC=C18)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations