Geometry & MOs

Info

ID:	81351
PubChem CID:	49854631
Reduced:	ON3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	71.86
Dipole, Da:	6.76
IP(EA), eV:	-8.4(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-[4-(3-acetyl-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C/C(=C(/C#N)\C1=CNC2=C1C=C(C=C2)OC)/C3=CN=CC=C3

DOS

IR

Vibrations