Geometry & MOs

Info

ID:	47962
PubChem CID:	10536053
Reduced:	OSC11H20 (1)
Stoich.:	ABC11D20 (1)
Weight, g/mol:	200.108026
ΔH_f, kcal/mol:	-68.46
Dipole, Da:	0.65
IP(EA), eV:	-8.6(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl(3-pyridin-3-ylpropyl)azanium;chloride

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H](C1(C)C)[C@@H]([C@H]2O)SC

DOS

IR

Vibrations