Geometry & MOs

Info

ID:	129256
PubChem CID:	51072074
Reduced:	OCl2N2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	309.113171
ΔH_f, kcal/mol:	-79.06
Dipole, Da:	2.71
IP(EA), eV:	-9.43(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-1-ium-3-ol;chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations