Geometry & MOs

Info

ID:

85839

PubChem CID:

49879679

Reduced:

ClN2O2H16C18 (1)

Stoich.:

AB2C2D16E18 (1)

Weight, g/mol:

283.100201

ΔHf, kcal/mol:

5.39

Dipole, Da:

1.3

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750124

Charge, e:

 -1

Chem-info

IUPAC name:

N-benzyl-2-methylquinolin-4-amine;chloride

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)NC3=CC=C(C=C3)C(=O)OC.[Cl-]

DOS

IR

Vibrations