Geometry & MOs

Info

ID:	256213
PubChem CID:	103137766
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-0.61
Dipole, Da:	4.11
IP(EA), eV:	-8.36(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-aminoisoquinolin-8-yl)-propan-2-ylamino]propan-1-ol

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)N)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations