Geometry & MOs

Info

ID:	375080
PubChem CID:	131465813
Reduced:	ON3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	297.98724
ΔH_f, kcal/mol:	-11.12
Dipole, Da:	3.45
IP(EA), eV:	-9.84(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[bromo-(3-chloro-2-methylphenyl)methyl]-1-methylpyrazole

Drug info:

PubChemData

Smile

CC(C)C1=CN=C(NC1=O)C(C)C#N

DOS

IR

Vibrations