Geometry & MOs

Info

ID:	213828
PubChem CID:	81065163
Reduced:	BrFNO3C13H15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	269.101171
ΔH_f, kcal/mol:	-171.39
Dipole, Da:	3.31
IP(EA), eV:	-9.79(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-nitro-1H-pyrrole-2-carbonyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations