Geometry & MOs

Info

ID:	29799
PubChem CID:	837394
Reduced:	N3O5C13H13 (1)
Stoich.:	A3B5C13D13 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	-113.9
Dipole, Da:	7.62
IP(EA), eV:	-9.75(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=C([C@@H](NC(=O)N1)C2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)C

DOS

IR

Vibrations