Geometry & MOs

Info

ID:	277419
PubChem CID:	103828403
Reduced:	F2N3O3C12H13 (1)
Stoich.:	A2B3C3D12E13 (1)
Weight, g/mol:	295.076848
ΔH_f, kcal/mol:	-115.82
Dipole, Da:	9.37
IP(EA), eV:	-9.34(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[(2-methoxypyridin-4-yl)methyl]-4-nitroaniline

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNC2=C(C=C(C=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations