Geometry & MOs

Info

ID:	77560
PubChem CID:	49655454
Reduced:	FO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	324.138639
ΔH_f, kcal/mol:	-66.77
Dipole, Da:	4.43
IP(EA), eV:	-8.75(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-fluoroanilino)methyl]-2-[(E)-3-phenylprop-2-enyl]-1H-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)C(=O)NCCC2=CNC3=C2C=C(C=C3)F

DOS

IR

Vibrations