Geometry & MOs

Info

ID:	322263
PubChem CID:	126669566
Reduced:	SF3O5C17H19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	447.263425
ΔH_f, kcal/mol:	-317.28
Dipole, Da:	7.71
IP(EA), eV:	-9.08(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-[4-[4-(2-hydroxyethyl)triazol-1-yl]phenyl]ethyl]piperidin-4-yl]-N-phenylpropanamide

Drug info:

PubChemData

Smile

CCCCOC1=C2C3CCC(C3)C2=C(C(=C1)C=O)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations