Geometry & MOs

Info

ID:	69743
PubChem CID:	47205314
Reduced:	BrFN2O2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	263.138225
ΔH_f, kcal/mol:	-119.34
Dipole, Da:	3.31
IP(EA), eV:	-9.6(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(2-oxo-2-piperidin-1-ylethyl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CNC(=O)C2=C(C=CC(=C2)F)Br

DOS

IR

Vibrations