Geometry & MOs

Info

ID:	294563
PubChem CID:	117470444
Reduced:	N3O4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	291.121906
ΔH_f, kcal/mol:	-142.62
Dipole, Da:	4.09
IP(EA), eV:	-9.81(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)CN(CC1=O)C2=CC=CC=C2C(CC(=O)O)N

DOS

IR

Vibrations