Geometry & MOs

Info

ID:	288568
PubChem CID:	104319942
Reduced:	BrNO2C11H18 (1)
Stoich.:	ABC2D11E18 (1)
Weight, g/mol:	181.110279
ΔH_f, kcal/mol:	-117.29
Dipole, Da:	4.57
IP(EA), eV:	-9.52(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC(C(=O)N1CC2CCC(C2C1)O)Br

DOS

IR

Vibrations