Geometry & MOs

Info

ID:	343626
PubChem CID:	127266802
Reduced:	NOC10H14 (2)
Stoich.:	ABC10D14 (2)
Weight, g/mol:	311.1333
ΔH_f, kcal/mol:	-88.28
Dipole, Da:	3.44
IP(EA), eV:	-8.76(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,6-difluorophenyl)cyclopentyl]-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCCC(C1)C2=CC(=CC=C2)C(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations