Geometry & MOs

Info

ID:

324982

PubChem CID:

126679037

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

231.77

Dipole, Da:

3.78

IP(EA), eV:

 -7.89(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-fluoranthen-3-yl-15-(3-phenylphenyl)-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)N5C6=CC=CC=C6C7=C5C8=C(C=C7)C9=C(N8C1=CC=CC=C1)C=CC1=C9OC2=CC=CC=C12

DOS

IR

Vibrations