Geometry & MOs

Info

ID:

85890

PubChem CID:

49879924

Reduced:

ClON2C16H16 (1)

Stoich.:

ABC2D16E16 (1)

Weight, g/mol:

251.095116

ΔHf, kcal/mol:

48.55

Dipole, Da:

3.64

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750118

Charge, e:

 -1

Chem-info

IUPAC name:

2-[(2,6-dimethylquinolin-4-yl)amino]ethanol;chloride

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C(N=C2C=C1)C)NCC3=CC=CO3.[Cl-]

DOS

IR

Vibrations