Geometry & MOs

Info

ID:	212861
PubChem CID:	81062036
Reduced:	SN2O3C13H22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	272.209993
ΔH_f, kcal/mol:	-117.75
Dipole, Da:	6.65
IP(EA), eV:	-9.0(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoate

Drug info:

PubChemData

Smile

CCNC1=CC=C(C=C1)S(=O)(=O)N(C)CCOCC

DOS

IR

Vibrations