Geometry & MOs

Info

ID:	213655
PubChem CID:	81064504
Reduced:	N2O5C14H20 (1)
Stoich.:	A2B5C14D20 (1)
Weight, g/mol:	331.02193
ΔH_f, kcal/mol:	-206.33
Dipole, Da:	6.19
IP(EA), eV:	-9.94(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CCNC(=O)C1=COC=C1

DOS

IR

Vibrations