Geometry & MOs

Info

ID:	260471
PubChem CID:	103192735
Reduced:	BrOF3N3H11C13 (1)
Stoich.:	ABC3D3E11F13 (1)
Weight, g/mol:	311.01326
ΔH_f, kcal/mol:	-148.6
Dipole, Da:	6.69
IP(EA), eV:	-8.55(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-butyl-2-(trifluoromethoxy)aniline

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1NC2=C(C=C(C=C2)Br)OC(F)(F)F)N

DOS

IR

Vibrations