Geometry & MOs

Info

ID:	213567
PubChem CID:	81064210
Reduced:	NSCl3O3C13H18 (1)
Stoich.:	ABC3D3E13F18 (1)
Weight, g/mol:	230.199428
ΔH_f, kcal/mol:	-136.58
Dipole, Da:	3.05
IP(EA), eV:	-9.63(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-amino-3-[2-ethoxyethyl(methyl)amino]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CC(C)OCCN(C)S(=O)(=O)C1=C(C(=C(C=C1)Cl)CCl)Cl

DOS

IR

Vibrations