Geometry & MOs

Info

ID:	394960
PubChem CID:	135024280
Reduced:	Si2O5C29H56 (1)
Stoich.:	A2B5C29D56 (1)
Weight, g/mol:	419.101428
ΔH_f, kcal/mol:	-387.77
Dipole, Da:	2.46
IP(EA), eV:	-8.75(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(9R,9aS)-4-oxo-9-(phenylmethoxymethyl)-3,6,7,8,9,9a-hexahydroquinolizin-1-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C(/C)\C=C\C(C1(CC[C@@H](O1)C(C)(C)O[Si](C)(C)C(C)(C)C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations