Geometry & MOs

Info

ID:	212104
PubChem CID:	81059503
Reduced:	SN2O5C12H18 (1)
Stoich.:	AB2C5D12E18 (1)
Weight, g/mol:	334.04475
ΔH_f, kcal/mol:	-178.41
Dipole, Da:	1.31
IP(EA), eV:	-9.66(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-5-chlorophenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)OCCN(C)S(=O)(=O)C1=NC=C(C=C1)C(=O)O

DOS

IR

Vibrations