Geometry & MOs

Info

ID:	256740
PubChem CID:	103141020
Reduced:	ClO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	329.98263
ΔH_f, kcal/mol:	-85.36
Dipole, Da:	3.19
IP(EA), eV:	-9.14(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-bromophenyl)sulfanylisoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=CC(=CC=C2)Cl

DOS

IR

Vibrations