Geometry & MOs

Info

ID:	154721
PubChem CID:	56314235
Reduced:	ON2F3C8H8 (2)
Stoich.:	AB2C3D8E8 (2)
Weight, g/mol:	372.227374
ΔH_f, kcal/mol:	-342.84
Dipole, Da:	3.49
IP(EA), eV:	-9.71(-0.72)
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-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NCC2=CC(=NC=C2)OCC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations