Geometry & MOs

Info

ID:	365214
PubChem CID:	127317057
Reduced:	OSN4C21H30 (1)
Stoich.:	ABC4D21E30 (1)
Weight, g/mol:	336.252526
ΔH_f, kcal/mol:	-17.16
Dipole, Da:	7.34
IP(EA), eV:	-8.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCN3CC4CCCN4CC3C

DOS

IR

Vibrations