Geometry & MOs

Info

ID:	181957
PubChem CID:	76820588
Reduced:	O3N4H12C15 (1)
Stoich.:	A3B4C12D15 (1)
Weight, g/mol:	445.14134
ΔH_f, kcal/mol:	20.17
Dipole, Da:	8.89
IP(EA), eV:	-10.36(-2.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-fluorophenyl)pyrazol-3-yl]-1-[1-[2-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]ethanone

Drug info:

PubChemData

Smile

C=C1C=C2C(=NC(=O)C3=NN=C(N23)C4CCC4)C=C1C(=O)O

DOS

IR

Vibrations