Geometry & MOs

Info

ID:	392871
PubChem CID:	135018278
Reduced:	OSC17H20 (2)
Stoich.:	ABC17D20 (2)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	-71.79
Dipole, Da:	1.18
IP(EA), eV:	-8.71(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-hexyl-5-methyl-1-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=C(SC2=CC3=C(C=C21)C(=O)C4=C(C3=O)C=C5C(=C4)SC(=C5CCCC)CCCC)CCCC

DOS

IR

Vibrations