Geometry & MOs

Info

ID:	365458
PubChem CID:	127317861
Reduced:	SO2N4C20H34 (1)
Stoich.:	AB2C4D20E34 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-88.39
Dipole, Da:	6.06
IP(EA), eV:	-8.4(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-cyclopentyloxypyridin-3-yl)methyl]-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)NCC(C(C)C)N3CCOCC3

DOS

IR

Vibrations