Geometry & MOs

Info

ID:	145943
PubChem CID:	53616304
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-56.16
Dipole, Da:	9.22
IP(EA), eV:	-8.76(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-N-[3-(2-methylphenoxy)propyl]-6-oxo-1H-pyridazine-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C2=CC=CC=C21)CCCC(=O)NC3(CCSC3)C#N

DOS

IR

Vibrations