Geometry & MOs

Info

ID:	129878
PubChem CID:	51074127
Reduced:	FO2N4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	310.115127
ΔH_f, kcal/mol:	-63.75
Dipole, Da:	4.83
IP(EA), eV:	-9.65(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-3-(2-fluorophenyl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NC(C)COC

DOS

IR

Vibrations