Geometry & MOs

Info

ID:	272622
PubChem CID:	103750243
Reduced:	ClON2F3H8C10 (1)
Stoich.:	ABC2D3E8F10 (1)
Weight, g/mol:	236.073182
ΔH_f, kcal/mol:	-155.7
Dipole, Da:	5.19
IP(EA), eV:	-10.4(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC1(C(F)(F)F)NC(=O)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations