Geometry & MOs

Info

ID:

324740

PubChem CID:

126678249

Reduced:

NH9C13 (4)

Stoich.:

AB9C13 (4)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

248.16

Dipole, Da:

2.65

IP(EA), eV:

 -8.41(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-24-[3-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3C=C(NC(=N3)C4=CC=CC=C4)C5=CC(=CC(=C5)N6C7=CC=CC=C7C8=CC=CC=C86)N9C1=CC=CC=C1C1=CC=CC=C19

DOS

IR

Vibrations