Geometry & MOs

Info

ID:	304189
PubChem CID:	124498455
Reduced:	SN2C15H16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	256.10342
ΔH_f, kcal/mol:	57.92
Dipole, Da:	1.38
IP(EA), eV:	-8.55(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylsulfanyl-3-[(2R)-pyrrolidin-2-yl]pyridine

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C2=C(N=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations