Geometry & MOs

Info

ID:	168167
PubChem CID:	74932194
Reduced:	O3C18H22 (1)
Stoich.:	A3B18C22 (1)
Weight, g/mol:	422.227721
ΔH_f, kcal/mol:	-86.96
Dipole, Da:	2.39
IP(EA), eV:	-8.69(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptan-3-ol

Drug info:

PubChemData

Smile

CC1=CCC(CC1=O)C(=CC2=C(C=CC=C2OC)OC)C

DOS

IR

Vibrations