Geometry & MOs

Info

ID:	353776
PubChem CID:	127285412
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	274.171499
ΔH_f, kcal/mol:	-42.27
Dipole, Da:	3.38
IP(EA), eV:	-9.57(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutylsulfonyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)N2CCC2C3=CC=CC=C3

DOS

IR

Vibrations