Geometry & MOs

Info

ID:	45624
PubChem CID:	10515741
Reduced:	O4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	-135.94
Dipole, Da:	1.46
IP(EA), eV:	-9.58(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S,6R)-5-hydroxy-4-(hydroxymethyl)-1-(3-methylbut-2-enyl)-3-[(E)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-one

Drug info:

PubChemData

Smile

C/C/1=C\[C@H]([C@H]2[C@@H](C/C(=C\CC1)/CO)OC(=O)C2=C)O

DOS

IR

Vibrations