Geometry & MOs

Info

ID:	256727
PubChem CID:	103140951
Reduced:	BrSN2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	234.082684
ΔH_f, kcal/mol:	79.71
Dipole, Da:	4.34
IP(EA), eV:	-8.22(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-methoxyethylsulfanyl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SC2=C3C=NC=CC3=C(C=C2)N)Br

DOS

IR

Vibrations