Geometry & MOs

Info

ID:	124596
PubChem CID:	50888685
Reduced:	N2O2C15H15 (2)
Stoich.:	A2B2C15D15 (2)
Weight, g/mol:	346.004261
ΔH_f, kcal/mol:	-25.86
Dipole, Da:	7.73
IP(EA), eV:	-8.5(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=C1OC)C(C2=C(NN(C2=O)C3=CC=CC=C3)C)C4=C(NN(C4=O)C5=CC=CC=C5)C

DOS

IR

Vibrations