Geometry & MOs

Info

ID:	129258
PubChem CID:	51072078
Reduced:	OCl2N2C11H20 (1)
Stoich.:	AB2C2D11E20 (1)
Weight, g/mol:	307.133907
ΔH_f, kcal/mol:	-115.43
Dipole, Da:	7.99
IP(EA), eV:	-9.35(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methylpyridin-1-ium-3-yl) adamantane-1-carboxylate;chloride

Drug info:

PubChemData

Smile

CCC1=[NH+]C(=CC(=C1O)C[NH+](C)C)C.[Cl-].[Cl-]

DOS

IR

Vibrations