Geometry & MOs

Info

ID:	257074
PubChem CID:	103143577
Reduced:	BrSN2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	272.13472
ΔH_f, kcal/mol:	74.57
Dipole, Da:	4.58
IP(EA), eV:	-9.09(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentylsulfanyl-1-isoquinolin-8-ylethanamine

Drug info:

PubChemData

Smile

CCCNC(C1=CC=CC2=C1C=NC=C2)C3=CC(=CS3)Br

DOS

IR

Vibrations