Geometry & MOs

Info

ID:	399186
PubChem CID:	135038556
Reduced:	OF2N2H8C12 (1)
Stoich.:	AB2C2D8E12 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-50.99
Dipole, Da:	3.17
IP(EA), eV:	-9.07(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2,5-dimethyl-3-phenylcyclopent-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N=C2C=C(C(=O)C=C2F)N)F

DOS

IR

Vibrations