Geometry & MOs

Info

ID:	288693
PubChem CID:	104323990
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	187.103085
ΔH_f, kcal/mol:	-33.24
Dipole, Da:	3.32
IP(EA), eV:	-8.34(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)CC3=CC=CC4=C3NCC4)O

DOS

IR

Vibrations