Geometry & MOs

Info

ID:	125793
PubChem CID:	50938745
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-97.76
Dipole, Da:	4.34
IP(EA), eV:	-8.13(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations