Geometry & MOs

Info

ID:

324554

PubChem CID:

126677888

Reduced:

ON2H28C50 (1)

Stoich.:

AB2C28D50 (1)

Weight, g/mol:

672.220164

ΔHf, kcal/mol:

212.85

Dipole, Da:

1.85

IP(EA), eV:

 -8.0(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-fluoranthen-8-yl-15-naphthalen-1-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=C2C(=C1)C=CC=C2N3C4=C(C=C5C6=CC=CC=C6OC5=C4)C7=C3C8=C(C=C7)C9=CC=CC=C9N8C1=CC2=C(C=C1)C1=CC=CC3=C1C2=CC=C3

DOS

IR

Vibrations