Geometry & MOs

Info

ID:

324759

PubChem CID:

126678280

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

228.8

Dipole, Da:

2.77

IP(EA), eV:

 -7.98(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-naphthalen-1-yl-24-[4-(4-phenylquinazolin-2-yl)phenyl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)N5C6=C(C7=C5C8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=C(C=C6)OC2=CC=CC=C21

DOS

IR

Vibrations