Geometry & MOs

Info

ID:	216558
PubChem CID:	85086418
Reduced:	SiO2C16H28 (1)
Stoich.:	AB2C16D28 (1)
Weight, g/mol:	280.050237
ΔH_f, kcal/mol:	-115.42
Dipole, Da:	1.85
IP(EA), eV:	-9.1(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-chloro-2-methoxyphenyl)-3-methyl-6-oxohexa-2,4-dienoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=CCCCC=CC=C)C[Si](C)(C)C

DOS

IR

Vibrations