Geometry & MOs

Info

ID:	388385
PubChem CID:	134989021
Reduced:	NOSeC16H31 (1)
Stoich.:	ABCD16E31 (1)
Weight, g/mol:	197.141579
ΔH_f, kcal/mol:	-94.17
Dipole, Da:	1.0
IP(EA), eV:	-8.54(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-3-methoxy-1,8,8-trimethyl-2-oxido-2-azoniabicyclo[3.2.1]oct-2-ene

Drug info:

PubChemData

Smile

CCCCCC1=NC(CC([Se]1)(C(C)C)C(C)C)(C)O

DOS

IR

Vibrations