Geometry & MOs

Info

ID:	28826
PubChem CID:	829861
Reduced:	N2F3O3C15H15 (1)
Stoich.:	A2B3C3D15E15 (1)
Weight, g/mol:	335.088161
ΔH_f, kcal/mol:	-243.95
Dipole, Da:	4.51
IP(EA), eV:	-9.49(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

C1CCC2=NN([C@]([C@H]2C1)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)O

DOS

IR

Vibrations