Geometry & MOs

Info

ID:	153875
PubChem CID:	56313207
Reduced:	ON5F6C22H27 (1)
Stoich.:	AB5C6D22E27 (1)
Weight, g/mol:	438.224261
ΔH_f, kcal/mol:	-313.6
Dipole, Da:	7.32
IP(EA), eV:	-8.45(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NCCCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations