Geometry & MOs

Info

ID:	260473
PubChem CID:	103192791
Reduced:	BrNOSF3H13C14 (1)
Stoich.:	ABCDE3F13G14 (1)
Weight, g/mol:	339.04456
ΔH_f, kcal/mol:	-167.17
Dipole, Da:	4.81
IP(EA), eV:	-8.71(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(3,3-dimethylbutyl)-2-(trifluoromethoxy)aniline

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(C)NC2=C(C=C(C=C2)Br)OC(F)(F)F

DOS

IR

Vibrations