Geometry & MOs

Info

ID:	311363
PubChem CID:	126591111
Reduced:	ClINO3C19H19 (1)
Stoich.:	ABCD3E19F19 (1)
Weight, g/mol:	188.112505
ΔH_f, kcal/mol:	-87.68
Dipole, Da:	1.44
IP(EA), eV:	-9.57(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

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C[C@H](C(=O)N[C@H](CC1=CC=C(C=C1)Cl)C(=O)OCC2=CC=CC=C2)I

DOS

IR

Vibrations