Geometry & MOs

Info

ID:	128796
PubChem CID:	51058260
Reduced:	BrN2O2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	311.093327
ΔH_f, kcal/mol:	-27.96
Dipole, Da:	3.62
IP(EA), eV:	-8.41(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)Br

DOS

IR

Vibrations