Geometry & MOs

Info

ID:	343236
PubChem CID:	127266409
Reduced:	ON4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	344.119464
ΔH_f, kcal/mol:	-10.97
Dipole, Da:	5.48
IP(EA), eV:	-8.36(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)-(3-methoxy-1,2-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CCN1[C@@H](CN(C[C@@H]1C)C(=O)C2=NN(C=C2)C)C

DOS

IR

Vibrations