Geometry & MOs

Info

ID:	153491
PubChem CID:	56312720
Reduced:	N3O3F4C23H25 (1)
Stoich.:	A3B3C4D23E25 (1)
Weight, g/mol:	377.192626
ΔH_f, kcal/mol:	-251.09
Dipole, Da:	0.9
IP(EA), eV:	-8.98(-0.98)
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]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations