Geometry & MOs

Info

ID:	387914
PubChem CID:	134987385
Reduced:	NOSC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	192.151415
ΔH_f, kcal/mol:	-24.5
Dipole, Da:	2.34
IP(EA), eV:	-8.77(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-1-tert-butyl-5-methylbicyclo[2.2.2]oct-5-en-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)/C=C(\NC1=CC=CC=C1)/SC

DOS

IR

Vibrations