Geometry & MOs

Info

ID:	426847
PubChem CID:	135154141
Reduced:	FO3N6C23H25 (1)
Stoich.:	AB3C6D23E25 (1)
Weight, g/mol:	358.164105
ΔH_f, kcal/mol:	-53.71
Dipole, Da:	2.8
IP(EA), eV:	-8.84(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CC[C@H]([C@H](C2)F)OC3=CN=C(C=C3)OC)C(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations