Geometry & MOs

Info

ID:	214063
PubChem CID:	81066854
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	270.101585
ΔH_f, kcal/mol:	-101.44
Dipole, Da:	6.56
IP(EA), eV:	-9.03(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-fluoro-5-nitroanilino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)NC1=CC=C(C=C1)CC#N

DOS

IR

Vibrations