Geometry & MOs

Info

ID:	225945
PubChem CID:	87246461
Reduced:	O5H12C13 (1)
Stoich.:	A5B12C13 (1)
Weight, g/mol:	251.079373
ΔH_f, kcal/mol:	-170.33
Dipole, Da:	7.55
IP(EA), eV:	-9.33(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(acetyloxyamino)-2-benzyl-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)O.C=CC(=O)O

DOS

IR

Vibrations