Geometry & MOs

Info

ID:

325042

PubChem CID:

126679358

Reduced:

N3O3H21C25 (1)

Stoich.:

A3B3C21D25 (1)

Weight, g/mol:

672.220164

ΔHf, kcal/mol:

20.93

Dipole, Da:

5.56

IP(EA), eV:

 -8.66(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-fluoranthen-2-yl-15-naphthalen-2-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

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC=C(C=C3)OCC4=CC=CC=C4)OC

DOS

IR

Vibrations