Geometry & MOs

Info

ID:

324497

PubChem CID:

126677766

Reduced:

ON4H28C48 (1)

Stoich.:

AB4C28D48 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

230.31

Dipole, Da:

4.92

IP(EA), eV:

 -7.92(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-naphthalen-1-yl-10-[4-(4-phenylphenyl)quinazolin-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)N4C5=CC=CC=C5C6=C4C7=C(C=C6)C8=C(N7C9=CC=CC1=CC=CC=C19)C=CC1=C8OC2=CC=CC=C12

DOS

IR

Vibrations