Geometry & MOs

Info

ID:	167373
PubChem CID:	74817120
Reduced:	ClN2O3C11H17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-96.32
Dipole, Da:	3.5
IP(EA), eV:	-9.74(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[5-(3-methylphenyl)-1,2-oxazol-3-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2CC2C1C(=NO)Cl

DOS

IR

Vibrations