Geometry & MOs

Info

ID:	260929
PubChem CID:	103209911
Reduced:	NSF3O3C13H14 (1)
Stoich.:	ABC3D3E13F14 (1)
Weight, g/mol:	300.108562
ΔH_f, kcal/mol:	-223.06
Dipole, Da:	3.39
IP(EA), eV:	-9.3(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

Drug info:

PubChemData

Smile

C1=C(SC(=C1)C#CCCO)CNC(=O)COCC(F)(F)F

DOS

IR

Vibrations