Geometry & MOs

Info

ID:

324561

PubChem CID:

126677896

Reduced:

ON4H32C54 (1)

Stoich.:

AB4C32D54 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

246.87

Dipole, Da:

4.38

IP(EA), eV:

 -7.93(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C6=C(C=C7C8=CC=CC=C8OC7=C6)C9=C5C1=C(C=C9)C2=CC=CC=C2N1C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations