Geometry & MOs

Info

ID:	269035
PubChem CID:	103606785
Reduced:	F3N6C11H13 (1)
Stoich.:	A3B6C11D13 (1)
Weight, g/mol:	291.056529
ΔH_f, kcal/mol:	-46.22
Dipole, Da:	10.22
IP(EA), eV:	-9.6(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)NC2=NN3C(=NN=C3C(F)(F)F)C=C2

DOS

IR

Vibrations