Geometry & MOs

Info

ID:	210059
PubChem CID:	80756562
Reduced:	O2N6C11H18 (1)
Stoich.:	A2B6C11D18 (1)
Weight, g/mol:	253.133888
ΔH_f, kcal/mol:	-56.68
Dipole, Da:	4.94
IP(EA), eV:	-9.39(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=NC(=NC(=N1)N2CCCC(C2)C(=O)N)N

DOS

IR

Vibrations