Geometry & MOs

Info

ID:	355485
PubChem CID:	127288548
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	329.177313
ΔH_f, kcal/mol:	-93.72
Dipole, Da:	7.57
IP(EA), eV:	-9.01(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(1-propylsulfonylpyrrolidin-2-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)N1CCCC1C(=O)N2CCN3CCCC3C2

DOS

IR

Vibrations