Geometry & MOs

Info

ID:	78371
PubChem CID:	49689220
Reduced:	FO2N4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	342.149204
ΔH_f, kcal/mol:	-64.32
Dipole, Da:	4.79
IP(EA), eV:	-9.64(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C2=CC=C(C=C2)F)C(=O)C3=NC=CN=C3

DOS

IR

Vibrations