Geometry & MOs

Info

ID:	213277
PubChem CID:	81063324
Reduced:	N2O5C12H14 (1)
Stoich.:	A2B5C12D14 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-123.11
Dipole, Da:	4.3
IP(EA), eV:	-10.38(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[3-(2-methylphenoxy)propanoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations