Geometry & MOs

Info

ID:	410721
PubChem CID:	135083522
Reduced:	OC13H14 (1)
Stoich.:	AB13C14 (1)
Weight, g/mol:	252.099774
ΔH_f, kcal/mol:	16.98
Dipole, Da:	2.02
IP(EA), eV:	-9.24(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S,12S,13R)-12,13-dihydroxy-5-methyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradec-10-en-4-one

Drug info:

PubChemData

Smile

CCC(/C=C\C#CC1=CC=CC=C1)O

DOS

IR

Vibrations