Geometry & MOs

Info

ID:	251371
PubChem CID:	103103472
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	286.164105
ΔH_f, kcal/mol:	-162.6
Dipole, Da:	11.6
IP(EA), eV:	-9.06(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)NC1=C(C=CC(=C1)C(=O)O)C

DOS

IR

Vibrations