Geometry & MOs

Info

ID:	396375
PubChem CID:	135028227
Reduced:	SN2O3C25H26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	245.102749
ΔH_f, kcal/mol:	-48.47
Dipole, Da:	4.37
IP(EA), eV:	-9.07(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-N,2-dimethyl-N-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\CC2=CC=C(C=C2)C3=CC=CC=C3)/N4CCOCC4

DOS

IR

Vibrations