Geometry & MOs

Info

ID:	269678
PubChem CID:	103618615
Reduced:	ClFN2O2H10C15 (1)
Stoich.:	ABC2D2E10F15 (1)
Weight, g/mol:	236.073182
ΔH_f, kcal/mol:	-85.3
Dipole, Da:	5.26
IP(EA), eV:	-9.25(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C(=O)NC3=C(C(=CC=C3)Cl)F)NC1=O

DOS

IR

Vibrations