Geometry & MOs

Info

ID:

324558

PubChem CID:

126677893

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

676.226312

ΔHf, kcal/mol:

252.12

Dipole, Da:

4.26

IP(EA), eV:

 -7.95(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-naphthalen-1-yl-10-(4-phenylquinazolin-2-yl)-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=C(N6C8=CC=C(C=C8)C9=NC1=CC=CC=C1C(=N9)C1=CC=CC=C1)C=CC1=C7C2=CC=CC=C2O1

DOS

IR

Vibrations