Geometry & MOs

Info

ID:	404020
PubChem CID:	135064510
Reduced:	NH10C13 (2)
Stoich.:	AB10C13 (2)
Weight, g/mol:	328.02113
ΔH_f, kcal/mol:	127.69
Dipole, Da:	3.18
IP(EA), eV:	-8.55(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations