Geometry & MOs

Info

ID:	314564
PubChem CID:	126622176
Reduced:	FN3O3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	171.053158
ΔH_f, kcal/mol:	-92.53
Dipole, Da:	4.95
IP(EA), eV:	-9.11(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-oxo-2-azabicyclo[3.1.0]hexan-1-yl)methyl hydrogen carbonate

Drug info:

PubChemData

Smile

CC[C@H]1[C@H](NC(=O)[C@H]1F)COC2=CN=CC3=CC(=C(C=C32)OC)C#N

DOS

IR

Vibrations