Geometry & MOs

Info

ID:

324560

PubChem CID:

126677895

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

217.19

Dipole, Da:

3.22

IP(EA), eV:

 -8.0(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(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)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