Geometry & MOs

Info

ID:	78369
PubChem CID:	49689203
Reduced:	ClO2N4C15H21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	342.149204
ΔH_f, kcal/mol:	-71.58
Dipole, Da:	4.79
IP(EA), eV:	-9.53(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)CCCCl)C(=O)C2=NC=CN=C2

DOS

IR

Vibrations