Geometry & MOs

Info

ID:	73123
PubChem CID:	48417036
Reduced:	F2O2N4H10C13 (1)
Stoich.:	A2B2C4D10E13 (1)
Weight, g/mol:	309.068431
ΔH_f, kcal/mol:	-90.6
Dipole, Da:	3.63
IP(EA), eV:	-9.46(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)N2C(=C(C=N2)C#N)N)OC(F)F

DOS

IR

Vibrations