Geometry & MOs

Info

ID:	83555
PubChem CID:	49857881
Reduced:	N3O5H13C15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-73.55
Dipole, Da:	5.03
IP(EA), eV:	-10.61(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylphenyl)-3-(pyridine-3-carbonylamino)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(CC(=O)O)NC(=O)C2=CN=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations