Geometry & MOs

Info

ID:	392050
PubChem CID:	135012286
Reduced:	NSiO5C25H39 (1)
Stoich.:	ABC5D25E39 (1)
Weight, g/mol:	459.2441
ΔH_f, kcal/mol:	-213.31
Dipole, Da:	6.77
IP(EA), eV:	-6.9(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,13bS)-3-[tert-butyl(dimethyl)silyl]oxy-2,11,12-trimethoxy-1,2,3,5,6,8-hexahydroindolo[7a,1-a]isoquinolin-9-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1C=C2CCN3[C@]2(CC1OC)C4=CC(=C(C=C4[C@@H](C3)O)OC)OC

DOS

IR

Vibrations