Geometry & MOs

Info

ID:	294561
PubChem CID:	117470433
Reduced:	N3O4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	291.121906
ΔH_f, kcal/mol:	-135.19
Dipole, Da:	7.73
IP(EA), eV:	-9.06(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C(=O)C(=O)N1)C2=CC=C(C=C2)C(CCC(=O)O)N

DOS

IR

Vibrations