Geometry & MOs

Info

ID:	262587
PubChem CID:	103302827
Reduced:	NOF3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	314.141262
ΔH_f, kcal/mol:	-184.88
Dipole, Da:	4.02
IP(EA), eV:	-9.26(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(ethylamino)pyridin-2-yl]sulfonylpiperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

CCCNC(CCC1CCCO1)C2=CC(=C(C=C2F)F)F

DOS

IR

Vibrations