Geometry & MOs

Info

ID:	383667
PubChem CID:	134975521
Reduced:	NSO2C10H17 (1)
Stoich.:	ABC2D10E17 (1)
Weight, g/mol:	194.030312
ΔH_f, kcal/mol:	-92.17
Dipole, Da:	4.03
IP(EA), eV:	-8.34(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-amino-3-(trifluoromethyl)-1,2-oxazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CCN/C(=C(\C(=S)C)/C(=O)OCC)/C

DOS

IR

Vibrations