Geometry & MOs

Info

ID:	204783
PubChem CID:	80007045
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	228.162649
ΔH_f, kcal/mol:	-17.63
Dipole, Da:	4.67
IP(EA), eV:	-9.09(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylphenyl)-1-pentan-3-ylpyrazole

Drug info:

PubChemData

Smile

C1CN(CC2=C1SC=C2)C(=O)C3=CC=C(O3)CN

DOS

IR

Vibrations