Geometry & MOs

Info

ID:	126974
PubChem CID:	50986294
Reduced:	NOS2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	198.136828
ΔH_f, kcal/mol:	13.23
Dipole, Da:	4.55
IP(EA), eV:	-9.05(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-amino-2-azabicyclo[2.1.1]hexane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC(=CS2)C(=O)C

DOS

IR

Vibrations