Geometry & MOs

Info

ID:

325076

PubChem CID:

126680151

Reduced:

ON2H28C50 (1)

Stoich.:

AB2C28D50 (1)

Weight, g/mol:

676.226312

ΔHf, kcal/mol:

210.78

Dipole, Da:

2.96

IP(EA), eV:

 -7.97(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-phenyl-15-(1-phenylbenzo[f]quinazolin-3-yl)-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=C2C=C(C=CC2=C1)N3C4=C(C5=C3C6=C(C=C5)N(C7=CC=CC=C76)C8=CC9=C(C=C8)C1=CC=CC2=C1C9=CC=C2)C1=C(C=C4)OC2=CC=CC=C21

DOS

IR

Vibrations