Geometry & MOs

Info

ID:	285659
PubChem CID:	104116244
Reduced:	ClNO2C8H10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	229.011741
ΔH_f, kcal/mol:	-48.65
Dipole, Da:	2.93
IP(EA), eV:	-9.45(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)-2-(3,3,3-trifluoropropoxy)-1,3-oxazole

Drug info:

PubChemData

Smile

C1CC(C1)OC2=NC(=CO2)CCl

DOS

IR

Vibrations