Geometry & MOs

Info

ID:	257769
PubChem CID:	103148533
Reduced:	NOSF3C13H20 (1)
Stoich.:	ABCD3E13F20 (1)
Weight, g/mol:	327.101305
ΔH_f, kcal/mol:	-199.43
Dipole, Da:	3.21
IP(EA), eV:	-8.96(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-3-fluorophenyl)-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

Drug info:

PubChemData

Smile

CCNC(CCC1=CC=CS1)CCOCC(F)(F)F

DOS

IR

Vibrations