Geometry & MOs

Info

ID:	401824
PubChem CID:	135052800
Reduced:	BrPN2O2H30C32 (1)
Stoich.:	ABC2D2E30F32 (1)
Weight, g/mol:	248.131349
ΔH_f, kcal/mol:	55.03
Dipole, Da:	2.18
IP(EA), eV:	-8.88(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(4-methylphenyl)-3-phenylpyrazole

Drug info:

PubChemData

Smile

CCOC(=O)/C=N\N=C(/CP(C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)Br)\C=C/C4=CC=CC=C4

DOS

IR

Vibrations