Geometry & MOs

Info

ID:

324644

PubChem CID:

126678047

Reduced:

ON2H26C46 (1)

Stoich.:

AB2C26D46 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

264.86

Dipole, Da:

2.97

IP(EA), eV:

 -8.24(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-phenyl-15-[3-(4-phenylquinazolin-2-yl)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)N2C3=CC=CC=C3C4=C2C5=C(C=C4)N(C6=C5C=CC7=C6C8=CC=CC=C8O7)C9=CC1=C2C(=C9)C=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations