Geometry & MOs

Info

ID:	26071
PubChem CID:	637743
Reduced:	OC17H20 (1)
Stoich.:	AB17C20 (1)
Weight, g/mol:	330.183109
ΔH_f, kcal/mol:	5.28
Dipole, Da:	2.03
IP(EA), eV:	-8.15(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,6R,7S)-7-methyl-3-methylidene-2-[2-(5-oxo-2H-furan-4-yl)ethyl]-9-oxatricyclo[5.3.3.01,6]tridecan-10-one

Drug info:

PubChemData

Smile

CC(C)(C)C1([C@@H]2C=CC=CC2=C3[C@@H]1C=CC=C3)O

DOS

IR

Vibrations