Geometry & MOs

Info

ID:	355494
PubChem CID:	127288557
Reduced:	OSN6C14H22 (1)
Stoich.:	ABC6D14E22 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	50.38
Dipole, Da:	2.59
IP(EA), eV:	-8.87(-0.66)
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]pyrazin-2-yl)-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN2CCCC2C1)SC3=NN=NN3C4CC4

DOS

IR

Vibrations