Geometry & MOs

Info

ID:	381724
PubChem CID:	134972537
Reduced:	NOC18H31 (1)
Stoich.:	ABC18D31 (1)
Weight, g/mol:	291.219829
ΔH_f, kcal/mol:	-95.55
Dipole, Da:	2.56
IP(EA), eV:	-8.84(2.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5aR,9aR,11aS)-9a,11a-dimethyl-7-oxido-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]isoquinolin-7-ium-1-ol

Drug info:

PubChemData

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C[C@]12CCNC[C@@H]1CCC3C2CC[C@]4(C3CC[C@@H]4O)C

DOS

IR

Vibrations