Geometry & MOs

Info

ID:	257823
PubChem CID:	103148727
Reduced:	NO2F3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	295.12177
ΔH_f, kcal/mol:	-237.49
Dipole, Da:	3.35
IP(EA), eV:	-9.1(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-1-thiophen-3-yl-4-(2,2,2-trifluoroethoxy)butan-2-amine

Drug info:

PubChemData

Smile

CCCNC(CCOCC(F)(F)F)CC1=CC=CO1

DOS

IR

Vibrations