Geometry & MOs

Info

ID:	76629
PubChem CID:	48425168
Reduced:	O2F3N4C18H23 (1)
Stoich.:	A2B3C4D18E23 (1)
Weight, g/mol:	411.176976
ΔH_f, kcal/mol:	-200.37
Dipole, Da:	2.91
IP(EA), eV:	-8.48(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-phenyl-1,3-oxazol-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=CN12)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations