Geometry & MOs

Info

ID:	355481
PubChem CID:	127288544
Reduced:	ON4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-8.88
Dipole, Da:	4.53
IP(EA), eV:	-8.63(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(1-methylpyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)N2CCN3CCCC3C2

DOS

IR

Vibrations