Geometry & MOs

Info

ID:	157427
PubChem CID:	56424125
Reduced:	N2F3O3H17C18 (1)
Stoich.:	A2B3C3D17E18 (1)
Weight, g/mol:	339.124627
ΔH_f, kcal/mol:	-175.84
Dipole, Da:	5.96
IP(EA), eV:	-10.25(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations