Geometry & MOs

Info

ID:	50421
PubChem CID:	12012954
Reduced:	O3C10H13 (2)
Stoich.:	A3B10C13 (2)
Weight, g/mol:	320.162374
ΔH_f, kcal/mol:	-235.21
Dipole, Da:	1.2
IP(EA), eV:	-8.34(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-8-(3,4-dimethoxyphenyl)-4-methyl-5-oxooct-3-enoate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CCCC2=CC(=C(C=C2[C@@]1(C)/C=C/C(=O)OC)OC)OC

DOS

IR

Vibrations