Geometry & MOs

Info

ID:	256070
PubChem CID:	103136849
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	-86.65
Dipole, Da:	3.34
IP(EA), eV:	-8.76(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-isoquinolin-8-yl-2-methylsulfonylethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=C(C=C(C2=O)C)Br

DOS

IR

Vibrations