Geometry & MOs

Info

ID:	433392
PubChem CID:	135173529
Reduced:	F3O3C25H35 (1)
Stoich.:	A3B3C25D35 (1)
Weight, g/mol:	426.213027
ΔH_f, kcal/mol:	-256.77
Dipole, Da:	5.45
IP(EA), eV:	-9.51(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-propan-2-yloxyprop-1-ynyl)-6-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CCCC(CCCC1=CC(=CC(=C1)C(F)(F)F)C#CCOC(C)C)OC2CC(C2)OC

DOS

IR

Vibrations