Geometry & MOs

Info

ID:	383366
PubChem CID:	134975052
Reduced:	O7C25H36 (1)
Stoich.:	A7B25C36 (1)
Weight, g/mol:	238.084124
ΔH_f, kcal/mol:	-281.65
Dipole, Da:	1.98
IP(EA), eV:	-8.76(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S)-3-acetyloxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl] (E)-but-2-enoate

Drug info:

PubChemData

Smile

CCC(=O)O[C@H](CCCC#CC(=O)OC)[C@@H](C)[C@@H]([C@H](C)COCC1=CC=C(C=C1)OC)O

DOS

IR

Vibrations