Geometry & MOs

Info

ID:

324505

PubChem CID:

126677777

Reduced:

ON2H28C50 (1)

Stoich.:

AB2C28D50 (1)

Weight, g/mol:

676.226312

ΔHf, kcal/mol:

214.12

Dipole, Da:

2.61

IP(EA), eV:

 -7.97(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-naphthalen-1-yl-24-(4-phenylquinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3C4=CC=CC=C4C5=C3C6=C(C=C5)N(C7=C6C8=C(C=C7)C9=CC=CC=C9O8)C1=CC2=C3C(=C1)C=CC=C3C1=CC=CC=C12

DOS

IR

Vibrations