Geometry & MOs

Info

ID:	147415
PubChem CID:	53787071
Reduced:	NC10H13 (2)
Stoich.:	AB10C13 (2)
Weight, g/mol:	288.120903
ΔH_f, kcal/mol:	18.67
Dipole, Da:	1.54
IP(EA), eV:	-8.27(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,6R)-2-[(1S)-1,3-dihydroxy-2,2-dimethylcyclopropyl]-1,5,6-trihydroxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-one

Drug info:

PubChemData

Smile

CCCC(C1=CC=CC=C1)NC2CCC3=C(C2)C=C(C=C3)N

DOS

IR

Vibrations