Geometry & MOs

Info

ID:	40637
PubChem CID:	8144455
Reduced:	ClN3O3C16H20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	334.128155
ΔH_f, kcal/mol:	-111.27
Dipole, Da:	2.68
IP(EA), eV:	-9.07(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-(2-fluorophenyl)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole

Drug info:

PubChemData

Smile

CC[C@@]1(C(=O)N(C(=O)N1)CN2CCOCC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations