Geometry & MOs

Info

ID:	288596
PubChem CID:	104321067
Reduced:	NSO2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	241.167794
ΔH_f, kcal/mol:	-67.58
Dipole, Da:	2.69
IP(EA), eV:	-8.74(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C(=O)CN2CC3CCC(C3C2)O

DOS

IR

Vibrations