Geometry & MOs

Info

ID:

325035

PubChem CID:

126679325

Reduced:

ON5H35C51 (1)

Stoich.:

AB5C35D51 (1)

Weight, g/mol:

672.220164

ΔHf, kcal/mol:

221.38

Dipole, Da:

3.84

IP(EA), eV:

 -8.05(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-fluoranthen-3-yl-10-naphthalen-2-yl-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)N5C6=C(C=C7C8=CC=CC=C8N(C7=C6)C9=CC=CC=C9)C1=C5C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations