Geometry & MOs

Info

ID:	355491
PubChem CID:	127288554
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	12.89
Dipole, Da:	3.54
IP(EA), eV:	-8.75(-0.57)
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]pyrazine-2-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(=O)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations