Geometry & MOs

Info

ID:	426846
PubChem CID:	135154140
Reduced:	ClO3N6C23H25 (1)
Stoich.:	AB3C6D23E25 (1)
Weight, g/mol:	452.197217
ΔH_f, kcal/mol:	-15.25
Dipole, Da:	5.28
IP(EA), eV:	-8.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3S,4R)-3-fluoro-4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)NCC4=C(C=NC=C4)Cl

DOS

IR

Vibrations