Geometry & MOs

Info

ID:	71007
PubChem CID:	48414172
Reduced:	BrFO2N3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	331.110296
ΔH_f, kcal/mol:	-73.56
Dipole, Da:	3.05
IP(EA), eV:	-9.55(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C(C)OC2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations