Geometry & MOs

Info

ID:	256111
PubChem CID:	103137146
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	-1.29
Dipole, Da:	2.51
IP(EA), eV:	-7.94(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-aminoisoquinolin-8-yl)-methylamino]ethanol

Drug info:

PubChemData

Smile

C1=CC(=C2C=NC=CC2=C1N)NCCCO

DOS

IR

Vibrations