Geometry & MOs

Info

ID:	260472
PubChem CID:	103192755
Reduced:	BrNOF3C11H13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	378.98533
ΔH_f, kcal/mol:	-195.56
Dipole, Da:	4.51
IP(EA), eV:	-8.69(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(trifluoromethoxy)aniline

Drug info:

PubChemData

Smile

CCCCNC1=C(C=C(C=C1)Br)OC(F)(F)F

DOS

IR

Vibrations