Geometry & MOs

Info

ID:	305555
PubChem CID:	124959914
Reduced:	BrN2O3C29H31 (1)
Stoich.:	AB2C3D29E31 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	-56.96
Dipole, Da:	7.51
IP(EA), eV:	-8.93(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)C[C@]2(CCCN(C2)C(=O)C3=CC=CC=C3Br)COC4=CC=CC=C4

DOS

IR

Vibrations