Geometry & MOs

Info

ID:	256124
PubChem CID:	103137236
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	280.10342
ΔH_f, kcal/mol:	5.09
Dipole, Da:	3.37
IP(EA), eV:	-8.28(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2-phenylsulfanylethanamine

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations