Geometry & MOs

Info

ID:	440790
PubChem CID:	135231467
Reduced:	F2O4N5H17C21 (1)
Stoich.:	A2B4C5D17E21 (1)
Weight, g/mol:	451.201968
ΔH_f, kcal/mol:	-112.4
Dipole, Da:	3.42
IP(EA), eV:	-9.27(-1.18)
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-propan-2-yloxyphenyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations