Geometry & MOs

Info

ID:	214007
PubChem CID:	81065729
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	270.101585
ΔH_f, kcal/mol:	-57.87
Dipole, Da:	6.36
IP(EA), eV:	-9.01(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluoro-2-nitroanilino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=CC=NC2=CC=CC=C21

DOS

IR

Vibrations