Geometry & MOs

Info

ID:

20550

PubChem CID:

584571

Reduced:

FNO2H8C10 (3)

Stoich.:

ABC2D8E10 (3)

Weight, g/mol:

579.16172

ΔHf, kcal/mol:

-251.93

Dipole, Da:

4.06

IP(EA), eV:

 -8.82(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,16-bis(1,3-benzodioxol-5-ylmethyl)-10-(trifluoromethyl)-3,18-dioxa-5,9,16-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1,7,9,11,13-pentaene

Drug info:

PubChemData

Smile

C1C2=C3C=CC(=NC3=C4CN(COC4=C2OCN1CC5=CC6=C(C=C5)OCO6)CC7=CC8=C(C=C7)OCO8)C(F)(F)F

DOS

IR

Vibrations