Geometry & MOs

Info

ID:	294562
PubChem CID:	117470439
Reduced:	N3O4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	291.121906
ΔH_f, kcal/mol:	-140.29
Dipole, Da:	5.76
IP(EA), eV:	-9.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-[2-(4-methyl-3,5-dioxopiperazin-1-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CN1C(=O)CN(CC1=O)C2=CC=CC(=C2)C(CC(=O)O)N

DOS

IR

Vibrations