Geometry & MOs

Info

ID:	404259
PubChem CID:	135065624
Reduced:	BrClN2H12C16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	292.157563
ΔH_f, kcal/mol:	82.32
Dipole, Da:	5.57
IP(EA), eV:	-9.02(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-3-phenyl-1-propan-2-ylpyrazole

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C2=CC=C(C=C2)Cl)Br)C3=CC=CC=C3

DOS

IR

Vibrations