Geometry & MOs

Info

ID:	355488
PubChem CID:	127288551
Reduced:	OSN5C13H21 (1)
Stoich.:	ABC5D13E21 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	3.39
Dipole, Da:	2.99
IP(EA), eV:	-8.68(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)cyclohexyl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN2CCCC2C1)SC3=NN=CN3C

DOS

IR

Vibrations