Geometry & MOs

Info

ID:	203119
PubChem CID:	79782189
Reduced:	ClFNO2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	289.12782
ΔH_f, kcal/mol:	-95.25
Dipole, Da:	6.37
IP(EA), eV:	-8.37(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)C2=C(C=C(C=C2)C)F)Cl

DOS

IR

Vibrations