Geometry & MOs

Info

ID:	319304
PubChem CID:	126655567
Reduced:	FO4N6H27C28 (1)
Stoich.:	AB4C6D27E28 (1)
Weight, g/mol:	179.105862
ΔH_f, kcal/mol:	-88.45
Dipole, Da:	3.49
IP(EA), eV:	-8.61(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-(1H-pyrazol-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1=O)C(=CC(=N2)C3=C(C=CC=C3F)C#N)N4C=CC(=N4)N5C[C@H]6CC[C@@H](C5)O6

DOS

IR

Vibrations