Geometry & MOs

Info

ID:	129259
PubChem CID:	51072081
Reduced:	ClNO2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	265.086956
ΔH_f, kcal/mol:	-122.14
Dipole, Da:	7.81
IP(EA), eV:	-9.68(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=[NH+]C=C(C=C1)OC(=O)C23CC4CC(C2)CC(C4)C3.[Cl-]

DOS

IR

Vibrations