Geometry & MOs

Info

ID:	257080
PubChem CID:	103143636
Reduced:	BrSN2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	358.01393
ΔH_f, kcal/mol:	83.48
Dipole, Da:	4.31
IP(EA), eV:	-8.61(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)sulfanyl-1-isoquinolin-8-ylethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)SCC(C2=CC=CC3=C2C=NC=C3)N)Br

DOS

IR

Vibrations