Geometry & MOs

Info

ID:	374870
PubChem CID:	131349594
Reduced:	BrN2O2C6H7 (1)
Stoich.:	AB2C2D6E7 (1)
Weight, g/mol:	264.02621
ΔH_f, kcal/mol:	-48.43
Dipole, Da:	4.15
IP(EA), eV:	-9.62(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-phenyl-1-propan-2-ylpyrazole

Drug info:

PubChemData

Smile

COC(=O)CC1=C(C=NN1)Br

DOS

IR

Vibrations