Geometry & MOs

Info

ID:

324501

PubChem CID:

126677772

Reduced:

ON4H32C54 (1)

Stoich.:

AB4C32D54 (1)

Weight, g/mol:

676.226312

ΔHf, kcal/mol:

357.61

Dipole, Da:

0.97

IP(EA), eV:

 -7.95(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-naphthalen-1-yl-15-(4-phenylquinazolin-2-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=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C6=C(C7=C5C=CC8=C7OC9=CC=CC=C89)C1=C(C=C6)C2=CC=CC=C2N1C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations