Geometry & MOs

Info

ID:	76614
PubChem CID:	48425149
Reduced:	O2F3N5C18H24 (1)
Stoich.:	A2B3C5D18E24 (1)
Weight, g/mol:	363.176976
ΔH_f, kcal/mol:	-171.24
Dipole, Da:	4.16
IP(EA), eV:	-8.92(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F)N3C=CC=C3

DOS

IR

Vibrations