Geometry & MOs

Info

ID:	277427
PubChem CID:	103828455
Reduced:	F2N2O3C11H14 (1)
Stoich.:	A2B2C3D11E14 (1)
Weight, g/mol:	283.088081
ΔH_f, kcal/mol:	-124.36
Dipole, Da:	9.91
IP(EA), eV:	-9.05(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-nitroaniline

Drug info:

PubChemData

Smile

COCCCCNC1=C(C=C(C=C1F)[N+](=O)[O-])F

DOS

IR

Vibrations