Geometry & MOs

Info

ID:	299703
PubChem CID:	117688733
Reduced:	OF3N7C22H28 (1)
Stoich.:	AB3C7D22E28 (1)
Weight, g/mol:	264.99636
ΔH_f, kcal/mol:	-134.92
Dipole, Da:	3.21
IP(EA), eV:	-8.62(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-6-iodo-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

C[C@@]1(CCN(C1)C2=NC(=CC(=N2)N3CCN4CCCC4C3)C5=CC(=C(N=C5)N)OC(F)F)F

DOS

IR

Vibrations