Geometry & MOs

Info

ID:	304182
PubChem CID:	124498231
Reduced:	SN2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	236.13472
ΔH_f, kcal/mol:	0.53
Dipole, Da:	1.18
IP(EA), eV:	-8.45(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butylsulfanyl-3-[(2R)-pyrrolidin-2-yl]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)SC1=C(C=CC=N1)[C@@H]2CCCN2

DOS

IR

Vibrations