Geometry & MOs

Info

ID:	207076
PubChem CID:	80342582
Reduced:	ON2F3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-195.05
Dipole, Da:	2.21
IP(EA), eV:	-8.63(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(1-hydroxyethyl)pyridin-2-yl]-3,3-dimethylpiperazine-2,6-dione

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=NC=C1)N2CCC(CC2)C(F)(F)F)O

DOS

IR

Vibrations