Geometry & MOs

Info

ID:	251294
PubChem CID:	103102818
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	299.091749
ΔH_f, kcal/mol:	-117.15
Dipole, Da:	5.04
IP(EA), eV:	-9.14(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(2-amino-2-oxoethyl)-ethylamino]-2-fluoro-4-nitrobenzoate

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=CC(=CC(=N1)C(C)C)C(=O)O

DOS

IR

Vibrations