Geometry & MOs

Info

ID:	213883
PubChem CID:	81065514
Reduced:	BrNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	331.02193
ΔH_f, kcal/mol:	-131.01
Dipole, Da:	4.09
IP(EA), eV:	-9.6(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CC1=CC=C(C=C1)Br

DOS

IR

Vibrations