Geometry & MOs

Info

ID:	404117
PubChem CID:	135065083
Reduced:	ON2H16C17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	312.02621
ΔH_f, kcal/mol:	48.49
Dipole, Da:	4.41
IP(EA), eV:	-8.67(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-5-methyl-1-phenylpyrazole

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3OC

DOS

IR

Vibrations