Geometry & MOs

Info

ID:	212961
PubChem CID:	81062412
Reduced:	SO3N4C12H22 (1)
Stoich.:	AB3C4D12E22 (1)
Weight, g/mol:	242.106671
ΔH_f, kcal/mol:	-96.07
Dipole, Da:	6.63
IP(EA), eV:	-9.14(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyethyl)-3-fluoro-N-methyl-2-nitroaniline

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1SCC(=O)O)N(C)CCOCC

DOS

IR

Vibrations