Geometry & MOs

Info

ID:	18280
PubChem CID:	539352
Reduced:	FO2N4H13C17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	324.102254
ΔH_f, kcal/mol:	14.34
Dipole, Da:	5.41
IP(EA), eV:	-10.13(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile

Drug info:

PubChemData

Smile

CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C3=CC(=CC=C3)F)C

DOS

IR

Vibrations