Geometry & MOs

Info

ID:

323708

PubChem CID:

126675781

Reduced:

N7C19H19 (1)

Stoich.:

A7B19C19 (1)

Weight, g/mol:

547.203111

ΔHf, kcal/mol:

144.62

Dipole, Da:

5.68

IP(EA), eV:

 -8.94(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-cyanocyclopropyl)-4,4-difluoro-1-[[hydroxy-[6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-benzofuran-2-yl]methyl]amino]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)CN3C=C(C=N3)CC4=CC(=NC5=NNN=C45)N

DOS

IR

Vibrations