Geometry & MOs

Info

ID:	440860
PubChem CID:	135231876
Reduced:	O2F4N5H19C22 (1)
Stoich.:	A2B4C5D19E22 (1)
Weight, g/mol:	493.212533
ΔH_f, kcal/mol:	-144.45
Dipole, Da:	6.57
IP(EA), eV:	-9.58(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-fluoropropan-2-yloxy)phenyl]-5-[5-methyl-1-[[3-(oxan-4-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NC(=NN1CC2=CC(=CC=C2)C(C)(C)F)C3=NC(=NO3)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations