Geometry & MOs

Info

ID:	329237
PubChem CID:	126732861
Reduced:	ClNO2F3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	462.198857
ΔH_f, kcal/mol:	-152.01
Dipole, Da:	4.27
IP(EA), eV:	-9.18(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(1-benzylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluorophenyl]-hydroxymethyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1CC2CC(C[C@H]1N2)OC3=CC(=CC(=C3)Cl)OC(F)(F)F

DOS

IR

Vibrations