Geometry & MOs

Info

ID:

324565

PubChem CID:

126677901

Reduced:

ON2H28C50 (1)

Stoich.:

AB2C28D50 (1)

Weight, g/mol:

624.220164

ΔHf, kcal/mol:

218.81

Dipole, Da:

1.53

IP(EA), eV:

 -7.95(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-naphthalen-2-yl-24-(3-phenylphenyl)-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)C7=C(N6C8=C9C=CC=C1C9=C(C=C8)C2=CC=CC=C21)C1=C(C=C7)C2=CC=CC=C2O1

DOS

IR

Vibrations