Geometry & MOs

Info

ID:	272826
PubChem CID:	103760246
Reduced:	FN2O2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	213.115364
ΔH_f, kcal/mol:	-80.04
Dipole, Da:	2.38
IP(EA), eV:	-10.2(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohex-2-en-1-yloxy-4-methylbenzonitrile

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)CC2=C(C=CC(=C2)F)C#N

DOS

IR

Vibrations