Geometry & MOs

Info

ID:	129531
PubChem CID:	51072978
Reduced:	NOF3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-208.64
Dipole, Da:	4.35
IP(EA), eV:	-9.26(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CCC(=O)NCC(F)(F)F

DOS

IR

Vibrations