Geometry & MOs

Info

ID:

324787

PubChem CID:

126678347

Reduced:

NO4H19C23 (1)

Stoich.:

AB4C19D23 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

-63.77

Dipole, Da:

2.97

IP(EA), eV:

 -8.82(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-fluoranthen-2-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C=O)OC(C2=O)C4=CC=CC=C4

DOS

IR

Vibrations