Geometry & MOs

Info

ID:

324564

PubChem CID:

126677900

Reduced:

ON4H32C54 (1)

Stoich.:

AB4C32D54 (1)

Weight, g/mol:

672.220164

ΔHf, kcal/mol:

260.0

Dipole, Da:

4.02

IP(EA), eV:

 -7.88(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-fluoranthen-3-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=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=C(C=CC7=C6N(C8=CC=CC=C78)C9=CC=CC1=CC=CC=C19)C1=C5C2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations