Geometry & MOs

Info

ID:	213656
PubChem CID:	81064507
Reduced:	BrFNO3C13H15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-167.81
Dipole, Da:	2.42
IP(EA), eV:	-10.02(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=C(C=CC(=C1)Br)F

DOS

IR

Vibrations