Geometry & MOs

Info

ID:	288638
PubChem CID:	104322276
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	213.172879
ΔH_f, kcal/mol:	-118.14
Dipole, Da:	2.83
IP(EA), eV:	-9.53(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-3-methylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)S(=O)(=O)CC3=CC=CC=C3)O

DOS

IR

Vibrations