Geometry & MOs

Info

ID:	73027
PubChem CID:	48416830
Reduced:	FON6H15C18 (1)
Stoich.:	ABC6D15E18 (1)
Weight, g/mol:	297.122575
ΔH_f, kcal/mol:	52.42
Dipole, Da:	7.37
IP(EA), eV:	-9.21(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-amino-4-cyanopyrazol-1-yl)-4-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)F)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations