Geometry & MOs

Info

ID:	288618
PubChem CID:	104321622
Reduced:	NSO2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	237.097663
ΔH_f, kcal/mol:	-81.81
Dipole, Da:	4.03
IP(EA), eV:	-8.54(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C(=O)CCSC3=CC=CC=C3)O

DOS

IR

Vibrations