Geometry & MOs

Info

ID:	155931
PubChem CID:	56368350
Reduced:	ON5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	454.157581
ΔH_f, kcal/mol:	66.54
Dipole, Da:	4.59
IP(EA), eV:	-9.01(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-benzyl-5-(2-methylphenyl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NN1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

DOS

IR

Vibrations