Geometry & MOs

Info

ID:	150198
PubChem CID:	53789885
Reduced:	NSO5C23H31 (1)
Stoich.:	ABC5D23E31 (1)
Weight, g/mol:	123.068414
ΔH_f, kcal/mol:	-182.02
Dipole, Da:	4.05
IP(EA), eV:	-9.1(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-azabicyclo[2.2.2]oct-5-en-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C=CS(=O)(=O)NC2C3CCC(C3)C2CC=CCCCC(=O)O

DOS

IR

Vibrations