Geometry & MOs

Info

ID:	213986
PubChem CID:	81065623
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	270.101585
ΔH_f, kcal/mol:	-142.96
Dipole, Da:	1.11
IP(EA), eV:	-9.52(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=NC(=NC=C1)C(=O)OC

DOS

IR

Vibrations