Geometry & MOs

Info

ID:	171952
PubChem CID:	75445254
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	273.094726
ΔH_f, kcal/mol:	-58.07
Dipole, Da:	4.21
IP(EA), eV:	-8.88(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-(3-fluoropyridin-2-yl)-2-methyl-1-methylsulfonylpiperazine

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1)OCCCO

DOS

IR

Vibrations