Geometry & MOs

Info

ID:

324543

PubChem CID:

126677873

Reduced:

ClN5H10C12 (1)

Stoich.:

AB5C10D12 (1)

Weight, g/mol:

672.220164

ΔHf, kcal/mol:

102.73

Dipole, Da:

3.42

IP(EA), eV:

 -9.12(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-fluoranthen-8-yl-15-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(=CC(=C1)Cl)CC2=CC(=NC3=NNN=C23)N

DOS

IR

Vibrations