Geometry & MOs

Info

ID:	288647
PubChem CID:	104322833
Reduced:	NSO2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	291.1293
ΔH_f, kcal/mol:	-36.38
Dipole, Da:	5.85
IP(EA), eV:	-8.77(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)CC3=CC(=CS3)C#CCO)O

DOS

IR

Vibrations