Geometry & MOs

Info

ID:	276015
PubChem CID:	103819956
Reduced:	BrON3C11H18 (1)
Stoich.:	ABC3D11E18 (1)
Weight, g/mol:	297.081048
ΔH_f, kcal/mol:	-28.55
Dipole, Da:	4.54
IP(EA), eV:	-8.83(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(C)NC1=NC=C(C(=N1)OC)Br

DOS

IR

Vibrations