Geometry & MOs

Info

ID:	60843
PubChem CID:	26702593
Reduced:	BrFO6H12C17 (1)
Stoich.:	ABC6D12E17 (1)
Weight, g/mol:	417.088019
ΔH_f, kcal/mol:	-233.46
Dipole, Da:	3.92
IP(EA), eV:	-10.15(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chlorobenzoyl)amino]phenyl] 4-pyrazol-1-ylbenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)OC(=O)C2=C(C=CC(=C2)F)Br)C(=O)OC

DOS

IR

Vibrations