Geometry & MOs

Info

ID:	426817
PubChem CID:	135154040
Reduced:	F3O4N5C27H32 (1)
Stoich.:	A3B4C5D27E32 (1)
Weight, g/mol:	428.196074
ΔH_f, kcal/mol:	-284.53
Dipole, Da:	4.59
IP(EA), eV:	-8.99(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3-cyanophenoxy)piperidin-1-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)OC)C(=O)[C@@H]2[C@H](C(=O)N2C(=O)N[C@@H](C3CCCCC3)C(F)(F)F)CC4=CC(=NC=C4)N

DOS

IR

Vibrations