Geometry & MOs

Info

ID:	163540
PubChem CID:	58034032
Reduced:	ClFN2O2H24C25 (1)
Stoich.:	ABC2D2E24F25 (1)
Weight, g/mol:	422.180584
ΔH_f, kcal/mol:	-58.3
Dipole, Da:	4.32
IP(EA), eV:	-9.29(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]ethanone

Drug info:

PubChemData

Smile

C1CC(CCC1CC(=O)C2=CC=C(C=C2)Cl)C(=O)CC3=NN(C=C3)C4=CC=CC=C4F

DOS

IR

Vibrations