Geometry & MOs

Info

ID:	154416
PubChem CID:	56313848
Reduced:	NO4F6C16H19 (1)
Stoich.:	AB4C6D16E19 (1)
Weight, g/mol:	409.095997
ΔH_f, kcal/mol:	-473.16
Dipole, Da:	0.95
IP(EA), eV:	-8.77(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCCOCC(F)(F)F)OCC(F)(F)F

DOS

IR

Vibrations