Geometry & MOs

Info

ID:	425065
PubChem CID:	135125016
Reduced:	SF2O2N4C20H20 (1)
Stoich.:	AB2C2D4E20F20 (1)
Weight, g/mol:	299.113313
ΔH_f, kcal/mol:	-70.16
Dipole, Da:	3.13
IP(EA), eV:	-8.92(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(2-cyclopropylacetyl)phenyl]ethyl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

CC1(CS(N(C(=N1)N)C)(O)O)C2=C(C=CC(=C2)C=C(C3=CC=C(C=C3)C#N)F)F

DOS

IR

Vibrations