Geometry & MOs

Info

ID:	213888
PubChem CID:	81065519
Reduced:	ClN2O5C13H15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	295.141973
ΔH_f, kcal/mol:	-135.07
Dipole, Da:	3.47
IP(EA), eV:	-10.38(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2,3-dimethoxybenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations