Geometry & MOs

Info

ID:	385649
PubChem CID:	134979635
Reduced:	O2C9H11 (2)
Stoich.:	A2B9C11 (2)
Weight, g/mol:	456.269586
ΔH_f, kcal/mol:	-139.48
Dipole, Da:	2.54
IP(EA), eV:	-9.04(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethyl)-2,2-dimethyl-5-phenyl-1,3,4,5-tetrahydroindene-4-carboxylate

Drug info:

PubChemData

Smile

C/C(=C\C=C\CC(C)(C(=O)OC)C(=O)OC)/C1=CC=CC=C1

DOS

IR

Vibrations