Geometry & MOs

Info

ID:

324745

PubChem CID:

126678262

Reduced:

ON2H28C50 (1)

Stoich.:

AB2C28D50 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

374.82

Dipole, Da:

4.64

IP(EA), eV:

 -8.08(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3C4=C(C=CC5=C4C6=CC=CC=C6N5C7=CC8=C9C(=C7)C=CC=C9C1=CC=CC=C18)C1=C3C2=C(C=C1)OC1=CC=CC=C12

DOS

IR

Vibrations