Geometry & MOs

Info

ID:	204729
PubChem CID:	80001218
Reduced:	BrN3H10C14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	274.042152
ΔH_f, kcal/mol:	108.36
Dipole, Da:	3.47
IP(EA), eV:	-9.29(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-[4-(3-fluorophenyl)pyrazol-1-yl]pyridazine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CN(N=C2)C3=CC=NC=C3)Br

DOS

IR

Vibrations