Geometry & MOs

Info

ID:	15326
PubChem CID:	438031
Reduced:	NSiO6C25H39 (1)
Stoich.:	ABC6D25E39 (1)
Weight, g/mol:	477.254665
ΔH_f, kcal/mol:	-316.15
Dipole, Da:	5.33
IP(EA), eV:	-8.65(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[tert-butyl(dimethyl)silyl]oxy-3-(diethoxymethyl)-9-(methoxymethoxy)-2,6,7,8-tetrahydrocyclopenta[g]isoquinolin-1-one

Drug info:

PubChemData

Smile

CCOC(C1=CC2=CC3=C(CCC3O[Si](C)(C)C(C)(C)C)C(=C2C(=O)N1)OCOC)OCC

DOS

IR

Vibrations