Geometry & MOs

Info

ID:	210366
PubChem CID:	80796768
Reduced:	ClON5C13H18 (1)
Stoich.:	ABC5D13E18 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	17.4
Dipole, Da:	3.76
IP(EA), eV:	-9.31(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[6-(ethylamino)pyridin-2-yl]amino]propanoate

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)Cl)N(CC)CC2=CC=CO2

DOS

IR

Vibrations