Geometry & MOs

Info

ID:

324591

PubChem CID:

126677953

Reduced:

ON2H28C46 (1)

Stoich.:

AB2C28D46 (1)

Weight, g/mol:

624.220164

ΔHf, kcal/mol:

181.83

Dipole, Da:

1.85

IP(EA), eV:

 -7.97(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-naphthalen-1-yl-15-(4-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=C(C=C1)C2=CC=C(C=C2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=C(N6C8=CC=CC9=CC=CC=C98)C=CC1=C7OC2=CC=CC=C12

DOS

IR

Vibrations