Geometry & MOs

Info

ID:	167824
PubChem CID:	74883667
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	196.157563
ΔH_f, kcal/mol:	-18.05
Dipole, Da:	4.82
IP(EA), eV:	-9.19(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations