Geometry & MOs

Info

ID:	359540
PubChem CID:	127298814
Reduced:	O2N4C21H38 (1)
Stoich.:	A2B4C21D38 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	-125.87
Dipole, Da:	3.71
IP(EA), eV:	-8.66(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC(C1)C(=O)N)N2CCCC(C2)CN3CCCCCC3

DOS

IR

Vibrations