Geometry & MOs

Info

ID:	170243
PubChem CID:	75212045
Reduced:	FON2H19C25 (1)
Stoich.:	ABC2D19E25 (1)
Weight, g/mol:	386.123069
ΔH_f, kcal/mol:	45.7
Dipole, Da:	3.28
IP(EA), eV:	-8.72(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations