Geometry & MOs

Info

ID:	381816
PubChem CID:	134972650
Reduced:	O3C19H30 (1)
Stoich.:	A3B19C30 (1)
Weight, g/mol:	268.167459
ΔH_f, kcal/mol:	-169.38
Dipole, Da:	1.93
IP(EA), eV:	-9.28(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate

Drug info:

PubChemData

Smile

CC1CC[C@H]2C(=CCC[C@]2(C)C(=O)OC)[C@@]1(C)CCC(=O)C

DOS

IR

Vibrations