Geometry & MOs

Info

ID:	3728
PubChem CID:	10077
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-93.33
Dipole, Da:	5.29
IP(EA), eV:	-8.57(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Drug info:

PubChemData

Smile

CN1CC[C@]23[C@@H]4[C@@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)CC4

DOS

IR

Vibrations