Geometry & MOs

Info

ID:	206410
PubChem CID:	80247336
Reduced:	OSN2C6H9 (2)
Stoich.:	ABC2D6E9 (2)
Weight, g/mol:	211.103085
ΔH_f, kcal/mol:	-32.94
Dipole, Da:	6.73
IP(EA), eV:	-8.61(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-methylthiophen-3-yl)methyl]pyrrolidin-3-yl]methanol

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNS(=O)(=O)C2=C(NN=C2CN)C

DOS

IR

Vibrations