Geometry & MOs

Info

ID:	260828
PubChem CID:	103206292
Reduced:	N2O2F3C10H19 (1)
Stoich.:	A2B2C3D10E19 (1)
Weight, g/mol:	236.133634
ΔH_f, kcal/mol:	-256.75
Dipole, Da:	4.54
IP(EA), eV:	-9.14(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-1-[(3S)-3-methylpiperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CNCCCN(C)C(=O)CCOCC(F)(F)F

DOS

IR

Vibrations