Geometry & MOs

Info

ID:	343851
PubChem CID:	127267027
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	295.169605
ΔH_f, kcal/mol:	-9.78
Dipole, Da:	2.34
IP(EA), eV:	-8.38(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[1-(6-fluoropyrimidin-4-yl)piperidin-2-yl]acetate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C=C1CN3CCC(C3)C(=O)N

DOS

IR

Vibrations