Geometry & MOs

Info

ID:	167828
PubChem CID:	74883671
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	-70.3
Dipole, Da:	5.48
IP(EA), eV:	-9.1(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-(5-methylpyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCC3C2CNC3)O

DOS

IR

Vibrations