Geometry & MOs

Info

ID:	298740
PubChem CID:	117655268
Reduced:	O4N7H21C24 (1)
Stoich.:	A4B7C21D24 (1)
Weight, g/mol:	259.095691
ΔH_f, kcal/mol:	-2.54
Dipole, Da:	2.07
IP(EA), eV:	-9.26(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(5-methoxypyridazin-3-yl)pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H](OC(=O)N1C2=NC3=C(C=C2)OCC(=O)N3)CCNCC4=CC(=CC=C4)C5=CC(=NN=C5)C#N

DOS

IR

Vibrations