Geometry & MOs

Info

ID:	210112
PubChem CID:	80764416
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	226.122989
ΔH_f, kcal/mol:	-32.7
Dipole, Da:	1.83
IP(EA), eV:	-8.15(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-ol

Drug info:

PubChemData

Smile

CCNC1=NC(=CC=C1)N2CCC(CC2)O

DOS

IR

Vibrations