Geometry & MOs

Info

ID:	203246
PubChem CID:	79798624
Reduced:	F3N3O3C11H12 (1)
Stoich.:	A3B3C3D11E12 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-253.34
Dipole, Da:	5.93
IP(EA), eV:	-10.0(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

Drug info:

PubChemData

Smile

CC(C(=O)O)(C(F)(F)F)NC1=CC(=NC=C1)C(=O)NC

DOS

IR

Vibrations