Geometry & MOs

Info

ID:	212660
PubChem CID:	81061405
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	278.118591
ΔH_f, kcal/mol:	-54.76
Dipole, Da:	3.46
IP(EA), eV:	-8.85(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylisoquinolin-1-amine

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C1=CC(=NC2=CC=CC=C21)CO

DOS

IR

Vibrations