Geometry & MOs

Info

ID:	83649
PubChem CID:	49859612
Reduced:	PC6O7H13 (1)
Stoich.:	AB6C7D13 (1)
Weight, g/mol:	291.19602
ΔH_f, kcal/mol:	-389.42
Dipole, Da:	4.01
IP(EA), eV:	-10.5(0.0)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

8-[(3E)-3-[(2Z,5Z)-octa-2,5-dienylidene]oxiran-2-yl]octanoate

Drug info:

PubChemData

Smile

CC(C)(COP(=O)(O)O)[C@H](C(=O)O)O

DOS

IR

Vibrations