Geometry & MOs

Info

ID:	290437
PubChem CID:	104513438
Reduced:	SN2O2C10H16 (1)
Stoich.:	AB2C2D10E16 (1)
Weight, g/mol:	248.071641
ΔH_f, kcal/mol:	-66.13
Dipole, Da:	3.33
IP(EA), eV:	-9.14(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-[(3,5-dimethylphenoxy)methyl]pyridazine

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C(C)CNC)C(=O)OC

DOS

IR

Vibrations