Geometry & MOs

Info

ID:	73085
PubChem CID:	48416972
Reduced:	O2N7H9C13 (1)
Stoich.:	A2B7C9D13 (1)
Weight, g/mol:	329.013809
ΔH_f, kcal/mol:	73.61
Dipole, Da:	6.44
IP(EA), eV:	-9.5(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(N=N2)CC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations