Geometry & MOs

Info

ID:	213100
PubChem CID:	81062883
Reduced:	SN2O3C15H26 (1)
Stoich.:	AB2C3D15E26 (1)
Weight, g/mol:	298.225643
ΔH_f, kcal/mol:	-130.44
Dipole, Da:	6.96
IP(EA), eV:	-8.99(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC1=CC=C(C=C1)S(=O)(=O)N(C)CCOC(C)C

DOS

IR

Vibrations