Geometry & MOs

Info

ID:	30880
PubChem CID:	842098
Reduced:	BrClO2H6C8 (1)
Stoich.:	ABC2D6E8 (1)
Weight, g/mol:	249.093583
ΔH_f, kcal/mol:	-64.81
Dipole, Da:	2.08
IP(EA), eV:	-9.83(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)Br)Cl

DOS

IR

Vibrations