Geometry & MOs

Info

ID:	21452
PubChem CID:	588361
Reduced:	OCl2N2C23H28 (1)
Stoich.:	AB2C2D23E28 (1)
Weight, g/mol:	418.157869
ΔH_f, kcal/mol:	-27.81
Dipole, Da:	4.86
IP(EA), eV:	-9.22(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dibutylamino)-1-(8,10-dichlorobenzo[h]isoquinolin-6-yl)ethanol

Drug info:

PubChemData

Smile

CCCCN(CCCC)CC(C1=C2C=C(C=C(C2=C3C=NC=CC3=C1)Cl)Cl)O

DOS

IR

Vibrations