Geometry & MOs

Info

ID:	386861
PubChem CID:	134983172
Reduced:	FOC3H3 (3)
Stoich.:	ABC3D3 (3)
Weight, g/mol:	214.09938
ΔH_f, kcal/mol:	-247.74
Dipole, Da:	6.77
IP(EA), eV:	-10.8(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E)-6-(4-acetylphenyl)hexa-3,5-dien-2-one

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C=C)/C(=O)C(F)(F)F

DOS

IR

Vibrations