Geometry & MOs

Info

ID:	133
PubChem CID:	2166
Reduced:	ClON3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	355.14514
ΔH_f, kcal/mol:	9.08
Dipole, Da:	6.27
IP(EA), eV:	-8.63(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol

Drug info:

PubChemData

Smile

CCN(CC)CC1=C(C=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O

DOS

IR

Vibrations