Geometry & MOs

Info

ID:	214010
PubChem CID:	81065742
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	287.072449
ΔH_f, kcal/mol:	-117.24
Dipole, Da:	5.77
IP(EA), eV:	-8.76(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-chloro-2-fluorobenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CN=C(C=C1)N(C)C

DOS

IR

Vibrations