Geometry & MOs

Info

ID:	284764
PubChem CID:	104069366
Reduced:	ClSN2O3C13H19 (1)
Stoich.:	ABC2D3E13F19 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-132.17
Dipole, Da:	5.64
IP(EA), eV:	-9.99(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-[3-(3-hydroxypropyl)phenyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCCl)S(=O)(=O)NCCCCC(=O)N

DOS

IR

Vibrations