Geometry & MOs

Info

ID:	73127
PubChem CID:	48417047
Reduced:	ON4H14C15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	309.068431
ΔH_f, kcal/mol:	44.54
Dipole, Da:	6.81
IP(EA), eV:	-9.25(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations