Geometry & MOs

Info

ID:

446310

PubChem CID:

135273952

Reduced:

O2N3H23C45 (1)

Stoich.:

A2B3C23D45 (1)

Weight, g/mol:

626.174276

ΔHf, kcal/mol:

280.85

Dipole, Da:

5.68

IP(EA), eV:

 -7.93(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(4-dibenzofuran-4-ylquinazolin-2-yl)-15-oxa-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7,9,11,16(24),17,19,21-undecaene-19-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2)C4=C(C=C3)C5=C(C=CC6=C5C(=CC=C6)O4)C7=CC8=C9C(=C7C#N)C=CC=C9C1=C(O8)C=C2C(=C1)C1=CC=CC=C1N2

DOS

IR

Vibrations