Geometry & MOs

Info

ID:	393393
PubChem CID:	135020378
Reduced:	O6H20C25 (1)
Stoich.:	A6B20C25 (1)
Weight, g/mol:	340.243372
ΔH_f, kcal/mol:	-120.63
Dipole, Da:	2.23
IP(EA), eV:	-8.36(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-4-hydroxybutan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1OC(=O)C(=C2)C3=CC(=C(C=C3)OC)OC)/C=C/C(=O)C4=CC=CO4

DOS

IR

Vibrations