Geometry & MOs

Info

ID:	372247
PubChem CID:	131294663
Reduced:	NO2F5H6C8 (1)
Stoich.:	AB2C5D6E8 (1)
Weight, g/mol:	218.050298
ΔH_f, kcal/mol:	-328.82
Dipole, Da:	7.41
IP(EA), eV:	-9.47(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethoxy)-5-methyl-4-nitroaniline

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1C(F)(F)F)OC(F)F)O)N

DOS

IR

Vibrations