Geometry & MOs

Info

ID:

440850

PubChem CID:

135231861

Reduced:

O2F3N6H17C23 (1)

Stoich.:

A2B3C6D17E23 (1)

Weight, g/mol:

532.215821

ΔHf, kcal/mol:

-44.21

Dipole, Da:

1.51

IP(EA), eV:

 -9.41(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[C-methyl-N-[[2-(2-morpholin-4-ylethylamino)pyridin-4-yl]methyl]carbonimidoyl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carboximidamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=NC(=N2)C3N=C(NO3)C4=CC=C(C=C4)OC(F)(F)F)C5=CN=CC=C5

DOS

IR

Vibrations