Geometry & MOs

Info

ID:	78373
PubChem CID:	49689223
Reduced:	SO2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	355.16444
ΔH_f, kcal/mol:	-22.56
Dipole, Da:	2.49
IP(EA), eV:	-9.26(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-oxo-N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=C1)C(=O)NCC2CCN(CC2)C(=O)C3=NC=CN=C3

DOS

IR

Vibrations