Geometry & MOs

Info

ID:	83958
PubChem CID:	49862857
Reduced:	ClFO2N3H27C28 (1)
Stoich.:	ABC2D3E27F28 (1)
Weight, g/mol:	316.077869
ΔH_f, kcal/mol:	-70.21
Dipole, Da:	4.15
IP(EA), eV:	-9.12(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-chlorophenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)N2CCC3(CC2)C(N(C3=O)C4=CC(=CC=C4)F)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations