Geometry & MOs

Info

ID:	207054
PubChem CID:	80339180
Reduced:	SF2N2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-43.61
Dipole, Da:	2.19
IP(EA), eV:	-8.91(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]pyridin-4-yl]ethanol

Drug info:

PubChemData

Smile

CC(C1=CC(=NC=C1)SC2=C(C=C(C=C2)F)F)N

DOS

IR

Vibrations