Geometry & MOs

Info

ID:	343440
PubChem CID:	127266613
Reduced:	BrN2O4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	298.098728
ΔH_f, kcal/mol:	-71.54
Dipole, Da:	4.19
IP(EA), eV:	-9.8(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(5-methyl-2-oxo-3H-1,3-thiazole-4-carbonyl)piperidin-4-yl]acetate

Drug info:

PubChemData

Smile

C1CN(CCOC1)C(=O)CC2=CC(=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations