Geometry & MOs

Info

ID:	256002
PubChem CID:	103136239
Reduced:	ON2H14C15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	286.15037
ΔH_f, kcal/mol:	45.79
Dipole, Da:	3.58
IP(EA), eV:	-9.09(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[isoquinolin-8-yl-(2-methylthiolan-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CNC(C1=CC=CC2=C1C=NC=C2)C3=CC=CO3

DOS

IR

Vibrations