Geometry & MOs

Info

ID:	305556
PubChem CID:	124959946
Reduced:	SN3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	57.35
Dipole, Da:	5.5
IP(EA), eV:	-9.17(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)CC2=CN=CS2)CCC3=CC=NC=C3

DOS

IR

Vibrations