Geometry & MOs

Info

ID:	129257
PubChem CID:	51072077
Reduced:	ClNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	266.095269
ΔH_f, kcal/mol:	-119.29
Dipole, Da:	5.47
IP(EA), eV:	-8.21(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-3-hydroxy-6-methylpyridin-1-ium-4-yl)methyl-dimethylazanium;dichloride

Drug info:

PubChemData

Smile

CC1=[NH+]C(=C(C=C1)O)CCC2=CC(=C(C=C2)OC)OC.[Cl-]

DOS

IR

Vibrations