Geometry & MOs

Info

ID:	287736
PubChem CID:	104263867
Reduced:	ClSN3O3C12H16 (1)
Stoich.:	ABC3D3E12F16 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-88.8
Dipole, Da:	2.37
IP(EA), eV:	-8.68(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-3-propoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1N=C(N2CCNS(=O)(=O)C)CCl

DOS

IR

Vibrations