Geometry & MOs

Info

ID:	257703
PubChem CID:	103148146
Reduced:	BrNOF4C12H14 (1)
Stoich.:	ABCD4E12F14 (1)
Weight, g/mol:	241.165349
ΔH_f, kcal/mol:	-234.58
Dipole, Da:	2.26
IP(EA), eV:	-9.58(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)CC(CCOCC(F)(F)F)N)Br

DOS

IR

Vibrations