Geometry & MOs

Info

ID:	179405
PubChem CID:	76477922
Reduced:	FN4O6H15C18 (1)
Stoich.:	AB4C6D15E18 (1)
Weight, g/mol:	194.085541
ΔH_f, kcal/mol:	-209.92
Dipole, Da:	2.41
IP(EA), eV:	-10.25(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-diazinan-4-ylidene)-2-fluorocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1C(C(=O)N(C(=O)N1C(C2=CN=CC=C2)OC=O)C(C3=CN=CC=C3)OC=O)F

DOS

IR

Vibrations