Geometry & MOs

Info

ID:	255995
PubChem CID:	103136178
Reduced:	ON2C10H20 (1)
Stoich.:	AB2C10D20 (1)
Weight, g/mol:	218.08777
ΔH_f, kcal/mol:	-62.83
Dipole, Da:	1.02
IP(EA), eV:	-8.79(2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2-methylsulfanylethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CC[C@@H](C2)N

DOS

IR

Vibrations