Geometry & MOs

Info

ID:

150344

PubChem CID:

53790032

Reduced:

N3O5C25H29 (1)

Stoich.:

A3B5C25D29 (1)

Weight, g/mol:

434.085141

ΔHf, kcal/mol:

-155.0

Dipole, Da:

6.41

IP(EA), eV:

 -8.44(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-2,4,7,9,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,8,10,12,14-hexaene-4-carbonitrile

Drug info:

PubChemData

Smile

CC[C@@H](C1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N4CCOCC4)OC1)C(=O)O

DOS

IR

Vibrations