Geometry & MOs

Info

ID:	413345
PubChem CID:	135086293
Reduced:	AlC13H19 (1)
Stoich.:	AB13C19 (1)
Weight, g/mol:	233.108565
ΔH_f, kcal/mol:	-2.4
Dipole, Da:	0.79
IP(EA), eV:	-9.2(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-6-tert-butylsulfonyl-2-methoxy-6-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

CC[Al](CC)/C=C(\C)/C1=CC=CC=C1

DOS

IR

Vibrations