Geometry & MOs

Info

ID:	292127
PubChem CID:	114465372
Reduced:	SN2O6C10H20 (1)
Stoich.:	AB2C6D10E20 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-278.69
Dipole, Da:	3.49
IP(EA), eV:	-10.48(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-3-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,3-diamine

Drug info:

PubChemData

Smile

CCOC(=O)NS(=O)(=O)NC(CC(C)C)C(=O)OC

DOS

IR

Vibrations