Geometry & MOs

Info

ID:	127695
PubChem CID:	51011630
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	-46.09
Dipole, Da:	5.5
IP(EA), eV:	-10.04(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(3-methylphenoxy)-1,3-thiazole-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]2C=C[C@@H]1[C@]3([C@@H]2C[C@@H]4[C@@H](C3=O)O4)CO

DOS

IR

Vibrations