Geometry & MOs

Info

ID:	392259
PubChem CID:	135013943
Reduced:	NOC17H25 (1)
Stoich.:	ABC17D25 (1)
Weight, g/mol:	424.206986
ΔH_f, kcal/mol:	-22.11
Dipole, Da:	3.4
IP(EA), eV:	-8.59(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5R,7aR)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-4-one

Drug info:

PubChemData

Smile

COC=CCC[C@H]1CCCCN1CC2=CC=CC=C2

DOS

IR

Vibrations