Geometry & MOs

Info

ID:	12914
PubChem CID:	148313
Reduced:	OC4H5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	-185.81
Dipole, Da:	4.93
IP(EA), eV:	-9.56(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,2R)-1-hydroxy-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl]ethyl acetate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C2=C(C1=O)C(=C(C(=C2)C)CCOC(=O)C)C)O

DOS

IR

Vibrations