Geometry & MOs

Info

ID:

324580

PubChem CID:

126677932

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

217.7

Dipole, Da:

1.42

IP(EA), eV:

 -7.96(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(3-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C5=C3C6=C(C=C5)N(C7=CC=CC=C76)C8=C9C=CC=C1C9=C(C=C8)C2=CC=CC=C21)C1=C(C=C4)C2=CC=CC=C2O1

DOS

IR

Vibrations