Geometry & MOs

Info

ID:	163239
PubChem CID:	57654995
Reduced:	OC15H16 (2)
Stoich.:	AB15C16 (2)
Weight, g/mol:	425.081159
ΔH_f, kcal/mol:	233.85
Dipole, Da:	5.55
IP(EA), eV:	-9.17(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;4-[4-[[4-(dimethylamino)phenyl]methyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC#CC#CC#CC#CC#CC#CC#C

DOS

IR

Vibrations