Geometry & MOs

Info

ID:	267602
PubChem CID:	103582948
Reduced:	BrClNO2H9C12 (1)
Stoich.:	ABCD2E9F12 (1)
Weight, g/mol:	364.8753
ΔH_f, kcal/mol:	-25.81
Dipole, Da:	1.8
IP(EA), eV:	-9.34(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloropyridine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CO)OC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations