Geometry & MOs

Info

ID:	386481
PubChem CID:	134981891
Reduced:	ISi2O6C33H59 (1)
Stoich.:	AB2C6D33E59 (1)
Weight, g/mol:	296.141245
ΔH_f, kcal/mol:	-376.43
Dipole, Da:	2.1
IP(EA), eV:	-8.81(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethoxy-1-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](CC(=O)CC(=O)O[C@H](C/C(=C/[C@H]([C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)C)OC)/C)/C=C/C=C\I)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations