Geometry & MOs

Info

ID:	270878
PubChem CID:	103638516
Reduced:	OSN3C8H9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	224.077262
ΔH_f, kcal/mol:	18.93
Dipole, Da:	4.21
IP(EA), eV:	-10.19(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanopropyl)-2-(2,2,2-trifluoroethoxy)acetamide

Drug info:

PubChemData

Smile

CCC(C#N)NC(=O)C1=CN=CS1

DOS

IR

Vibrations