Geometry & MOs

Info

ID:	324214
PubChem CID:	126677158
Reduced:	ClN7C22H24 (1)
Stoich.:	AB7C22D24 (1)
Weight, g/mol:	314.038897
ΔH_f, kcal/mol:	110.74
Dipole, Da:	3.88
IP(EA), eV:	-8.31(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-[(4-chloro-5-fluoro-2-propan-2-ylphenoxy)methyl]pyridazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)CN=C/C(=C\N)/CC3=CC(=NC(=C3N)NN)N)Cl

DOS

IR

Vibrations