Geometry & MOs

Info

ID:	251363
PubChem CID:	103103429
Reduced:	N3O4C10H19 (1)
Stoich.:	A3B4C10D19 (1)
Weight, g/mol:	231.121906
ΔH_f, kcal/mol:	-204.11
Dipole, Da:	4.74
IP(EA), eV:	-9.94(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]-methylamino]propanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C(=O)O)NC(=O)N(CC)CC(=O)N

DOS

IR

Vibrations