Geometry & MOs

Info

ID:	427693
PubChem CID:	135161341
Reduced:	ClOF3N5H17C18 (1)
Stoich.:	ABC3D5E17F18 (1)
Weight, g/mol:	356.120403
ΔH_f, kcal/mol:	-99.83
Dipole, Da:	2.39
IP(EA), eV:	-9.41(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-amino-1-chloro-2-phenylethenyl]-2-(2-fluoroethyl)-5-phenylpyrazol-3-amine

Drug info:

PubChemData

Smile

C1CCN(C1)C(CN2C3=NN=C(C(=C3C(=N2)C(F)(F)F)Cl)C4=CC=CC=C4)O

DOS

IR

Vibrations