Geometry & MOs

Info

ID:	293144
PubChem CID:	117374962
Reduced:	ClON2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	248.071641
ΔH_f, kcal/mol:	20.68
Dipole, Da:	4.32
IP(EA), eV:	-9.29(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-chloro-2-methoxyquinolin-6-yl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(CC=O)C1=CC(=C(C=C1)N2C=CC=N2)Cl

DOS

IR

Vibrations