Geometry & MOs

Info

ID:	393960
PubChem CID:	135022053
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	280.126343
ΔH_f, kcal/mol:	5.42
Dipole, Da:	2.05
IP(EA), eV:	-8.62(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-2,5-dimethyl-4-phenylcyclopent-2-en-1-one

Drug info:

PubChemData

Smile

COC1=C2C[C@@H](CCC2=C(C=C1)C=C)/C(=C\[N+]#N)/[O-]

DOS

IR

Vibrations