Geometry & MOs

Info

ID:	336470
PubChem CID:	127255477
Reduced:	SCl2N2C6H8 (1)
Stoich.:	AB2C2D6E8 (1)
Weight, g/mol:	185.105193
ΔH_f, kcal/mol:	-8.66
Dipole, Da:	4.41
IP(EA), eV:	-9.22(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-oxa-2-azabicyclo[3.1.0]hexane-2-carboxylate

Drug info:

PubChemData

Smile

CSC1=NC=CC(=N1)CCl.Cl

DOS

IR

Vibrations