Geometry & MOs

Info

ID:	85409
PubChem CID:	49874871
Reduced:	OSN2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	285.095413
ΔH_f, kcal/mol:	20.3
Dipole, Da:	2.13
IP(EA), eV:	-8.94(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(pyrrolidin-1-ylmethyl)-1,3-dihydroisothiochromen-4-ol;hydrochloride

Drug info:

PubChemData

Smile

C1COC2(CN1C#N)CSCC3=CC=CC=C23

DOS

IR

Vibrations