Geometry & MOs

Info

ID:	388956
PubChem CID:	134990754
Reduced:	O7C33H42 (1)
Stoich.:	A7B33C42 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-288.52
Dipole, Da:	3.58
IP(EA), eV:	-9.17(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1S,12bR)-1-ethyl-4-oxo-2,3,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-1-yl]propanoate

Drug info:

PubChemData

Smile

COC(=O)CC1=C(C\2=C(C=C1)OCC3=CC=CC=C3/C2=C/CCOC4CCCCO4)CCCOC5CCCCO5

DOS

IR

Vibrations