Geometry & MOs

Info

ID:	386809
PubChem CID:	134983001
Reduced:	O4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	288.136159
ΔH_f, kcal/mol:	-131.31
Dipole, Da:	3.09
IP(EA), eV:	-9.59(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-methyl-2-[(2E,4E)-5-phenylpenta-2,4-dienyl]propanedioate

Drug info:

PubChemData

Smile

CC(=C)/C=C\[C@@H](C1=CC=CC=C1)C(C(=O)OC)C(=O)OC

DOS

IR

Vibrations