Geometry & MOs

Info

ID:	18771
PubChem CID:	547643
Reduced:	ClFON3H25C26 (1)
Stoich.:	ABCD3E25F26 (1)
Weight, g/mol:	449.167018
ΔH_f, kcal/mol:	-14.9
Dipole, Da:	6.75
IP(EA), eV:	-8.47(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)-6-(2-fluorophenyl)phenol

Drug info:

PubChemData

Smile

CCN(CC)CC1=C(C(=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)C4=CC=CC=C4F)O

DOS

IR

Vibrations