Geometry & MOs

Info

ID:	365545
PubChem CID:	127318001
Reduced:	SO2N4C19H32 (1)
Stoich.:	AB2C4D19E32 (1)
Weight, g/mol:	336.252526
ΔH_f, kcal/mol:	-91.27
Dipole, Da:	3.72
IP(EA), eV:	-8.65(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)NCCN3CCOC(C3)(C)C

DOS

IR

Vibrations