Geometry & MOs

Info

ID:	275821
PubChem CID:	103818136
Reduced:	BrNF2O2H10C12 (1)
Stoich.:	ABC2D2E10F12 (1)
Weight, g/mol:	281.102749
ΔH_f, kcal/mol:	-124.33
Dipole, Da:	3.61
IP(EA), eV:	-8.64(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]aniline

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCC2=C(C=CO2)Br)OC(F)F

DOS

IR

Vibrations