Geometry & MOs

Info

ID:	255982
PubChem CID:	103136052
Reduced:	SO5C12H20 (1)
Stoich.:	AB5C12D20 (1)
Weight, g/mol:	345.98724
ΔH_f, kcal/mol:	-243.69
Dipole, Da:	6.5
IP(EA), eV:	-10.19(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-chlorophenyl)-isoquinolin-8-ylmethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(C2CCS(=O)(=O)C2)C(=O)O

DOS

IR

Vibrations