Geometry & MOs

Info

ID:	310395
PubChem CID:	126579724
Reduced:	O3C19H30 (1)
Stoich.:	A3B19C30 (1)
Weight, g/mol:	374.172939
ΔH_f, kcal/mol:	-169.75
Dipole, Da:	2.6
IP(EA), eV:	-8.47(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R,6S)-3-hydroxy-6-methyl-1-[(2-methylpropan-2-yl)oxy]-8-oxo-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)OC(C)C)C(C)(C)CC(=O)OC(C)C)C

DOS

IR

Vibrations