Geometry & MOs

Info

ID:	5395
PubChem CID:	13102
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-70.3
Dipole, Da:	4.15
IP(EA), eV:	-8.34(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC[C@]23[C@@H]4[C@@H]1CC5=C2C(=C(C=C5)OC)OC3[C@@H](CC4)O

DOS

IR

Vibrations