Geometry & MOs

Info

ID:	408074
PubChem CID:	135080829
Reduced:	NS2O3C6H7 (1)
Stoich.:	AB2C3D6E7 (1)
Weight, g/mol:	192.095043
ΔH_f, kcal/mol:	-41.48
Dipole, Da:	3.74
IP(EA), eV:	-9.19(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-2,3-dimethylbut-3-en-1-one

Drug info:

PubChemData

Smile

CC(=O)C(=C1SCCS1)[N+](=O)[O-]

DOS

IR

Vibrations