Geometry & MOs

Info

ID:

324499

PubChem CID:

126677769

Reduced:

ON4H32C54 (1)

Stoich.:

AB4C32D54 (1)

Weight, g/mol:

676.226312

ΔHf, kcal/mol:

247.67

Dipole, Da:

3.43

IP(EA), eV:

 -7.94(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-naphthalen-1-yl-15-(4-phenylquinazolin-2-yl)-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C6=CC=CC=C6C7=C5C8=C(C=C7)N(C9=C8C1=C(C=C9)C2=CC=CC=C2O1)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations