Geometry & MOs

Info

ID:	256726
PubChem CID:	103140946
Reduced:	ClNC19H24 (1)
Stoich.:	ABC19D24 (1)
Weight, g/mol:	329.98263
ΔH_f, kcal/mol:	2.27
Dipole, Da:	3.31
IP(EA), eV:	-8.78(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-bromophenyl)sulfanylisoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CCC(C(C1)Cl)C(C)(C)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations