Geometry & MOs

Info

ID:	295270
PubChem CID:	117524163
Reduced:	N3C11H15 (1)
Stoich.:	A3B11C15 (1)
Weight, g/mol:	228.059801
ΔH_f, kcal/mol:	27.9
Dipole, Da:	3.95
IP(EA), eV:	-8.62(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

CC1=NC(=C2N1CCCC2)CCC#N

DOS

IR

Vibrations