Geometry & MOs

Info

ID:	368694
PubChem CID:	127329831
Reduced:	SO2N5C19H31 (1)
Stoich.:	AB2C5D19E31 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	-34.27
Dipole, Da:	4.32
IP(EA), eV:	-8.72(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-pyridin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCOC(C1)CN2CCN(CC2)C(=O)NC3=NC(=CS3)C4CC4

DOS

IR

Vibrations