Geometry & MOs

Info

ID:	257817
PubChem CID:	103148715
Reduced:	OF3N3C14H24 (1)
Stoich.:	AB3C3D14E24 (1)
Weight, g/mol:	311.130855
ΔH_f, kcal/mol:	-199.16
Dipole, Da:	5.71
IP(EA), eV:	-9.15(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-difluorophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CCOCC(F)(F)F)CC1=NC=CN1CC

DOS

IR

Vibrations