Geometry & MOs

Info

ID:

324504

PubChem CID:

126677776

Reduced:

ON2H28C50 (1)

Stoich.:

AB2C28D50 (1)

Weight, g/mol:

672.220164

ΔHf, kcal/mol:

214.18

Dipole, Da:

2.42

IP(EA), eV:

 -7.96(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-fluoranthen-2-yl-26-naphthalen-1-yl-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3C4=C(C5=C3C=CC6=C5OC7=CC=CC=C67)C8=C(C=C4)C9=CC=CC=C9N8C1=CC2=C3C(=C1)C=CC=C3C1=CC=CC=C12

DOS

IR

Vibrations