Geometry & MOs

Info

ID:

324994

PubChem CID:

126679116

Reduced:

ON4H32C54 (1)

Stoich.:

AB4C32D54 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

246.25

Dipole, Da:

4.13

IP(EA), eV:

 -8.01(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-naphthalen-2-yl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-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=C(C=C4)N5C6=C(C7=C5C8=C(C=C7)OC9=CC=CC=C98)C1=C(C=C6)C2=CC=CC=C2N1C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations