Geometry & MOs

Info

ID:	433393
PubChem CID:	135173530
Reduced:	N2F3O3C22H29 (1)
Stoich.:	A2B3C3D22E29 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-228.91
Dipole, Da:	6.64
IP(EA), eV:	-9.01(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-6-(3-methoxy-3-methylbut-1-ynyl)pyridine

Drug info:

PubChemData

Smile

CC(C)OCC#CC1=NC(=CC(=C1)N2CCC(CC2)OC3CC(C3)OC)C(F)(F)F

DOS

IR

Vibrations