Geometry & MOs

Info

ID:	404021
PubChem CID:	135064513
Reduced:	BrON2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	312.02621
ΔH_f, kcal/mol:	57.49
Dipole, Da:	0.65
IP(EA), eV:	-8.43(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-3-(4-methylphenyl)pyrazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN(C=C2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations