Geometry & MOs

Info

ID:	299687
PubChem CID:	117688605
Reduced:	O2F3N6C20H23 (1)
Stoich.:	A2B3C6D20E23 (1)
Weight, g/mol:	139.099714
ΔH_f, kcal/mol:	-164.05
Dipole, Da:	1.66
IP(EA), eV:	-8.84(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

CC1(CCN(C1)C2=NC(=CC(=N2)N3C[C@@H]4C[C@H]3CO4)C5=CC(=C(N=C5)N)OC(F)F)F

DOS

IR

Vibrations