Geometry & MOs

Info

ID:

325026

PubChem CID:

126679302

Reduced:

ON4H32C54 (1)

Stoich.:

AB4C32D54 (1)

Weight, g/mol:

672.220164

ΔHf, kcal/mol:

252.02

Dipole, Da:

5.08

IP(EA), eV:

 -8.02(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-fluoranthen-2-yl-24-naphthalen-1-yl-10-oxa-15,24-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)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=C(C7=C5C8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC2=CC=CC=C21)C1=C(C=C6)OC2=CC=CC=C21

DOS

IR

Vibrations