Geometry & MOs

Info

ID:	400911
PubChem CID:	135049439
Reduced:	OSiC31H32 (1)
Stoich.:	ABC31D32 (1)
Weight, g/mol:	460.246513
ΔH_f, kcal/mol:	30.17
Dipole, Da:	1.32
IP(EA), eV:	-9.24(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2R,6E)-2-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethylidene)cyclohexyl]-1,3-benzodioxole-5-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=CC=CC=C1)(C(=C)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O

DOS

IR

Vibrations