Geometry & MOs

Info

ID:	371889
PubChem CID:	131277422
Reduced:	SN3C6H7 (1)
Stoich.:	AB3C6D7 (1)
Weight, g/mol:	218.049156
ΔH_f, kcal/mol:	64.37
Dipole, Da:	3.57
IP(EA), eV:	-10.01(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(fluoromethyl)-6-oxocyclohexa-2,4-dien-1-ylidene]-2H-1,2-oxazole-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C1=CN=C(S1)C#N)N

DOS

IR

Vibrations