Geometry & MOs

Info

ID:	157251
PubChem CID:	56422453
Reduced:	ClFON3C17H17 (1)
Stoich.:	ABCD3E17F17 (1)
Weight, g/mol:	404.247521
ΔH_f, kcal/mol:	-44.86
Dipole, Da:	5.92
IP(EA), eV:	-8.96(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)F)NC(=O)C3=NC=CC(=C3)Cl

DOS

IR

Vibrations