Geometry & MOs

Info

ID:

436859

PubChem CID:

135212368

Reduced:

N3H13C21 (2)

Stoich.:

A3B13C21 (2)

Weight, g/mol:

586.215747

ΔHf, kcal/mol:

267.46

Dipole, Da:

4.63

IP(EA), eV:

 -8.21(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-phenyl-16-(4-phenylquinazolin-2-yl)-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=C(C=C3)N5C6=C(C7=CC=CC=C7N6C8=CC=CC=C8)N=C5C9=CC=CC=C94)C1=CC=CC=C1

DOS

IR

Vibrations