Geometry & MOs

Info

ID:	252083
PubChem CID:	103108935
Reduced:	ClN3O3C13H20 (1)
Stoich.:	AB3C3D13E20 (1)
Weight, g/mol:	245.137556
ΔH_f, kcal/mol:	-110.45
Dipole, Da:	5.08
IP(EA), eV:	-10.42(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C2CCCCCC2O)CCl

DOS

IR

Vibrations