Geometry & MOs

Info

ID:	274066
PubChem CID:	103806831
Reduced:	BrFON2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	214.168128
ΔH_f, kcal/mol:	-69.39
Dipole, Da:	3.58
IP(EA), eV:	-9.06(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylpiperazin-1-yl)-2-propoxyethanone

Drug info:

PubChemData

Smile

CC1CNCC(N1C(=O)C2=CC(=C(C=C2)F)Br)C

DOS

IR

Vibrations