Geometry & MOs

Info

ID:	288616
PubChem CID:	104321427
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	197.141579
ΔH_f, kcal/mol:	-71.6
Dipole, Da:	6.81
IP(EA), eV:	-9.34(-0.47)
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)butan-1-one

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C(=O)C3=CC=CC(=C3)/C(=N\O)/N)O

DOS

IR

Vibrations