Geometry & MOs

Info

ID:	212791
PubChem CID:	81061853
Reduced:	SN3O3C13H23 (1)
Stoich.:	AB3C3D13E23 (1)
Weight, g/mol:	232.178693
ΔH_f, kcal/mol:	-120.18
Dipole, Da:	3.6
IP(EA), eV:	-9.07(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CCNC1=C(C=CC=N1)S(=O)(=O)N(C)CCOC(C)C

DOS

IR

Vibrations