Geometry & MOs

Info

ID:	426895
PubChem CID:	135154404
Reduced:	PO4N8C25H35 (1)
Stoich.:	AB4C8D25E35 (1)
Weight, g/mol:	424.197137
ΔH_f, kcal/mol:	-137.13
Dipole, Da:	8.24
IP(EA), eV:	-9.11(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methyl-N-(2H-triazol-4-ylmethyl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCCOC(=O)C(C)(C)N[P@@](=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)N[C@H](C)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations