Geometry & MOs

Info

ID:	141716
PubChem CID:	52921293
Reduced:	N2O3H12C21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	346.262028
ΔH_f, kcal/mol:	-10.04
Dipole, Da:	8.12
IP(EA), eV:	-9.04(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E)-3,7-dimethylocta-2,6-dienyl] 2-tert-butyl-5-propylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)C4=NC5=CC=CC=C5NC4=O

DOS

IR

Vibrations