Geometry & MOs

Info

ID:

329544

PubChem CID:

126737980

Reduced:

ON3H25C44 (1)

Stoich.:

AB3C25D44 (1)

Weight, g/mol:

701.210327

ΔHf, kcal/mol:

202.03

Dipole, Da:

3.36

IP(EA), eV:

 -8.22(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-(1-dibenzofuran-2-ylbenzo[f]quinazolin-3-yl)-9-oxa-19-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=C2C4=CC=CC=C4C=C3)N5C6=CC=CC=C6C7=C5C8=C(C=C7)C9=C(C1=CC=CC=C18)OC1=CC=CC=C19

DOS

IR

Vibrations