Geometry & MOs

Info

ID:	293011
PubChem CID:	117369935
Reduced:	N3O3C12H13 (1)
Stoich.:	A3B3C12D13 (1)
Weight, g/mol:	247.095691
ΔH_f, kcal/mol:	-65.92
Dipole, Da:	4.97
IP(EA), eV:	-9.52(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

COC1=CN=C2C=C(C=CC2=N1)C(CN)C(=O)O

DOS

IR

Vibrations