Geometry & MOs

Info

ID:	408207
PubChem CID:	135080968
Reduced:	FPO3C8H14 (1)
Stoich.:	ABC3D8E14 (1)
Weight, g/mol:	187.099714
ΔH_f, kcal/mol:	-217.25
Dipole, Da:	1.5
IP(EA), eV:	-9.9(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-4-oxopentan-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CCOP(=O)(/C(=C/C=C)/F)OCC

DOS

IR

Vibrations