Geometry & MOs

Info

ID:	271686
PubChem CID:	103688370
Reduced:	BrFSN3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	251.093327
ΔH_f, kcal/mol:	25.17
Dipole, Da:	3.46
IP(EA), eV:	-9.22(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-fluoro-4-(trifluoromethyl)anilino]butan-1-ol

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NCC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations