Geometry & MOs

Info

ID:	440849
PubChem CID:	135231860
Reduced:	O2F3N9C23H26 (1)
Stoich.:	A2B3C9D23E26 (1)
Weight, g/mol:	466.136508
ΔH_f, kcal/mol:	-56.89
Dipole, Da:	6.18
IP(EA), eV:	-8.69(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(=NCC1=NC(=NO1)C2=CC=C(C=C2)OC(F)(F)F)N(CC3=NC(=NC=C3)N4CCN(CC4)C)N=C

DOS

IR

Vibrations