Geometry & MOs

Info

ID:

324984

PubChem CID:

126679060

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

676.226312

ΔHf, kcal/mol:

250.96

Dipole, Da:

5.83

IP(EA), eV:

 -7.88(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-18-(1-phenylbenzo[f]quinazolin-3-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C5=C3C6=C(C=C5)OC7=CC=CC=C76)C8=C(C=C4)N(C9=CC=CC=C98)C1=CC=C(C=C1)C1=NC2=CC=CC=C2C(=N1)C1=CC=CC=C1

DOS

IR

Vibrations