Geometry & MOs

Info

ID:	263196
PubChem CID:	103345213
Reduced:	NOS3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	295.106457
ΔH_f, kcal/mol:	-47.04
Dipole, Da:	1.66
IP(EA), eV:	-8.75(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5,6-dimethyl-1,4-dithian-2-yl)methanol

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C(CC2=CSC(=N2)C)O)C

DOS

IR

Vibrations