Geometry & MOs

Info

ID:	209889
PubChem CID:	80735728
Reduced:	ClN2S2O5C11H15 (1)
Stoich.:	AB2C2D5E11F15 (1)
Weight, g/mol:	262.204513
ΔH_f, kcal/mol:	-113.26
Dipole, Da:	4.09
IP(EA), eV:	-10.04(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(3,4-dimethylcyclohexyl)-5-ethoxybenzene-1,3-diamine

Drug info:

PubChemData

Smile

C1CCN(C(C1)CCO)S(=O)(=O)C2=CC(=C(S2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations