Geometry & MOs

Info

ID:

324729

PubChem CID:

126678230

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

217.42

Dipole, Da:

3.06

IP(EA), eV:

 -8.04(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C5=C3C6=C(C=C5)N(C7=CC=CC=C76)C8=CC9=C1C(=C8)C=CC=C1C1=CC=CC=C19)C1=C(C=C4)OC2=CC=CC=C21

DOS

IR

Vibrations