Geometry & MOs

Info

ID:

324778

PubChem CID:

126678332

Reduced:

FN2O4H17C19 (1)

Stoich.:

AB2C4D17E19 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

-118.68

Dipole, Da:

3.4

IP(EA), eV:

 -9.07(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NOC3=C2C=C(C=C3)F)C(=O)C4=CC(=C(C=C4)O)O

DOS

IR

Vibrations