Geometry & MOs

Info

ID:	73083
PubChem CID:	48416962
Reduced:	ON7H13C18 (1)
Stoich.:	AB7C13D18 (1)
Weight, g/mol:	315.024852
ΔH_f, kcal/mol:	145.83
Dipole, Da:	7.27
IP(EA), eV:	-9.42(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations