Geometry & MOs

Info

ID:	304181
PubChem CID:	124498161
Reduced:	SN2C23H30 (1)
Stoich.:	AB2C23D30 (1)
Weight, g/mol:	236.13472
ΔH_f, kcal/mol:	25.81
Dipole, Da:	1.53
IP(EA), eV:	-8.35(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)SC2=C(C=CC=N2)[C@H]3CCCCN3CC4=CC=CC=C4

DOS

IR

Vibrations