Geometry & MOs

Info

ID:	47793
PubChem CID:	10535356
Reduced:	NSC10H13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	179.071306
ΔH_f, kcal/mol:	61.46
Dipole, Da:	4.6
IP(EA), eV:	-9.32(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,6R,7R)-2-azoniabicyclo[3.2.1]octane-6,7-diol;chloride

Drug info:

PubChemData

Smile

CCCC(=C=C1CCC1)SC#N

DOS

IR

Vibrations