Geometry & MOs

Info

ID:	431306
PubChem CID:	135171377
Reduced:	O3N5C26H31 (1)
Stoich.:	A3B5C26D31 (1)
Weight, g/mol:	376.154683
ΔH_f, kcal/mol:	-24.69
Dipole, Da:	4.62
IP(EA), eV:	-8.99(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(3R,4S)-3-fluoro-4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CC4=C(CN(C4=O)C)C=C3)C(=O)NC5CC6CC5C6

DOS

IR

Vibrations