Geometry & MOs

Info

ID:	257686
PubChem CID:	103147959
Reduced:	NO2F3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	275.149699
ΔH_f, kcal/mol:	-229.93
Dipole, Da:	2.37
IP(EA), eV:	-8.69(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-amine

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(CCOCC(F)(F)F)N

DOS

IR

Vibrations