Geometry & MOs

Info

ID:	354089
PubChem CID:	127285893
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-50.12
Dipole, Da:	2.89
IP(EA), eV:	-8.67(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(N=CO1)C(=O)N2CCN3CCCC3C2

DOS

IR

Vibrations