Geometry & MOs

Info

ID:	214008
PubChem CID:	81065730
Reduced:	FN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	283.116821
ΔH_f, kcal/mol:	-138.01
Dipole, Da:	4.06
IP(EA), eV:	-9.41(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1-methyl-5-nitropyrrole-2-carbonyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=C(C=C(C=C1)F)[N+](=O)[O-]

DOS

IR

Vibrations