Geometry & MOs

Info

ID:	209286
PubChem CID:	80648843
Reduced:	SO2N3C12H19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	330.07316
ΔH_f, kcal/mol:	-62.57
Dipole, Da:	4.91
IP(EA), eV:	-8.19(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-methyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCNCC1=CC=CC2=C1NCC2

DOS

IR

Vibrations