Geometry & MOs

Info

ID:	161701
PubChem CID:	57392374
Reduced:	NOC12H13 (2)
Stoich.:	ABC12D13 (2)
Weight, g/mol:	406.262028
ΔH_f, kcal/mol:	10.68
Dipole, Da:	8.4
IP(EA), eV:	-6.7(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,12bS)-12-(cyclohexylmethyl)-6-(prop-2-enoxymethyl)-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one

Drug info:

PubChemData

Smile

COC[C@H]1CC2=C([C@H]3N1C(=O)CCC3)N(C4=CC=CC=C24)CC5=CC=CC=C5

DOS

IR

Vibrations