Geometry & MOs

Info

ID:	82514
PubChem CID:	49856123
Reduced:	OC4H6 (3)
Stoich.:	AB4C6 (3)
Weight, g/mol:	420.251189
ΔH_f, kcal/mol:	-141.85
Dipole, Da:	3.33
IP(EA), eV:	-9.92(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,2'R,5S)-2'-(acetyloxymethyl)-1',1',6,6-tetramethyl-4'-oxospiro[4,5,7,8-tetrahydro-3H-chromene-2,3'-cyclohexane]-5-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1C(=C)C(=O)CCC1(C)C

DOS

IR

Vibrations