Geometry & MOs

Info

ID:	344049
PubChem CID:	127267225
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	-18.96
Dipole, Da:	4.51
IP(EA), eV:	-9.19(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-5-propylpyrazol-3-yl)-3-(3-oxo-1H-isoindol-2-yl)urea

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)N(C)C2=CC=CC=C2OCC

DOS

IR

Vibrations