Geometry & MOs

Info

ID:	269244
PubChem CID:	103616547
Reduced:	BrNO2F3C12H13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	272.077262
ΔH_f, kcal/mol:	-215.99
Dipole, Da:	3.75
IP(EA), eV:	-9.51(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(cyanomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)Br)C(=O)COCC(F)(F)F

DOS

IR

Vibrations