Geometry & MOs

Info

ID:	404258
PubChem CID:	135065623
Reduced:	N2O2H20C23 (1)
Stoich.:	A2B2C20D23 (1)
Weight, g/mol:	345.98724
ΔH_f, kcal/mol:	47.01
Dipole, Da:	4.58
IP(EA), eV:	-8.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-(4-chlorophenyl)-1-methyl-5-phenylpyrazole

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)N2C=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations