Geometry & MOs

Info

ID:	369287
PubChem CID:	127332275
Reduced:	SO3N4C17H26 (1)
Stoich.:	AB3C4D17E26 (1)
Weight, g/mol:	288.97721
ΔH_f, kcal/mol:	-79.42
Dipole, Da:	6.97
IP(EA), eV:	-9.44(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)S(=O)(=O)NCCOC3CCCCCC3)C

DOS

IR

Vibrations