Geometry & MOs

Info

ID:	288567
PubChem CID:	104319924
Reduced:	NSO5C10H17 (1)
Stoich.:	ABC5D10E17 (1)
Weight, g/mol:	275.05209
ΔH_f, kcal/mol:	-230.53
Dipole, Da:	3.53
IP(EA), eV:	-9.98(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)S(=O)(=O)CCC(=O)O)O

DOS

IR

Vibrations