Geometry & MOs

Info

ID:

324973

PubChem CID:

126679000

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

232.49

Dipole, Da:

0.33

IP(EA), eV:

 -8.06(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(3-phenylphenyl)-18-(4-phenylquinazolin-2-yl)-11-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C=CC5=C4N(C6=CC=CC=C56)C7=CC8=C9C(=C7)C=CC=C9C1=CC=CC=C18)C1=C3C2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations