Geometry & MOs

Info

ID:

324629

PubChem CID:

126678019

Reduced:

ON4H26C44 (1)

Stoich.:

AB4C26D44 (1)

Weight, g/mol:

676.226312

ΔHf, kcal/mol:

212.87

Dipole, Da:

3.25

IP(EA), eV:

 -8.09(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N4C5=C(C6=C4C7=C(C=C6)OC8=CC=CC=C87)C9=C(C=C5)C1=CC=CC=C1N9C1=CC=CC=C1

DOS

IR

Vibrations