Geometry & MOs

Info

ID:	251295
PubChem CID:	103102819
Reduced:	FN3O5C12H14 (1)
Stoich.:	AB3C5D12E14 (1)
Weight, g/mol:	251.090606
ΔH_f, kcal/mol:	-154.22
Dipole, Da:	4.33
IP(EA), eV:	-9.61(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-ethyl-2-formyl-4-nitroanilino)acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=C(C=C(C(=C1)C(=O)OC)F)[N+](=O)[O-]

DOS

IR

Vibrations