Geometry & MOs

Info

ID:

324563

PubChem CID:

126677898

Reduced:

ON4H28C48 (1)

Stoich.:

AB4C28D48 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

234.84

Dipole, Da:

3.23

IP(EA), eV:

 -7.92(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-naphthalen-1-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N4C5=CC=CC=C5C6=C4C7=C(C=C6)C8=C(N7C9=CC=CC1=CC=CC=C19)C1=C(C=C8)C2=CC=CC=C2O1

DOS

IR

Vibrations