Geometry & MOs

Info

ID:	21458
PubChem CID:	588368
Reduced:	Cl2N2O2C25H30 (1)
Stoich.:	A2B2C2D25E30 (1)
Weight, g/mol:	460.168434
ΔH_f, kcal/mol:	-65.35
Dipole, Da:	5.09
IP(EA), eV:	-8.82(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6,8-dichloro-4-[2-(dibutylamino)-1-hydroxyethyl]quinolin-2-yl]phenol

Drug info:

PubChemData

Smile

CCCCN(CCCC)CC(C1=CC(=NC2=C1C=C(C=C2Cl)Cl)C3=CC=C(C=C3)O)O

DOS

IR

Vibrations