Geometry & MOs

Info

ID:	402245
PubChem CID:	135055195
Reduced:	SO5C20H22 (1)
Stoich.:	AB5C20D22 (1)
Weight, g/mol:	254.178299
ΔH_f, kcal/mol:	-174.29
Dipole, Da:	5.54
IP(EA), eV:	-9.38(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12bR)-11,12b-dimethyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizine

Drug info:

PubChemData

Smile

CCOC(=O)C([C@@H](CC(=O)C1=CC=CS1)C2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations