Geometry & MOs

Info

ID:	11859
PubChem CID:	122068
Reduced:	ClON3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	327.11384
ΔH_f, kcal/mol:	11.97
Dipole, Da:	7.74
IP(EA), eV:	-8.54(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O

DOS

IR

Vibrations