Geometry & MOs

Info

ID:

324544

PubChem CID:

126677874

Reduced:

ON2H28C50 (1)

Stoich.:

AB2C28D50 (1)

Weight, g/mol:

672.220164

ΔHf, kcal/mol:

218.63

Dipole, Da:

1.78

IP(EA), eV:

 -7.96(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-fluoranthen-8-yl-18-naphthalen-1-yl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3C4=C(C=CC5=C4N(C6=CC=CC=C56)C7=CC8=C(C=C7)C9=CC=CC1=C9C8=CC=C1)C1=C3C2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations