Geometry & MOs

Info

ID:	270867
PubChem CID:	103638470
Reduced:	OSN3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	252.108562
ΔH_f, kcal/mol:	10.88
Dipole, Da:	2.37
IP(EA), eV:	-10.05(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations