Geometry & MOs

Info

ID:	125792
PubChem CID:	50938744
Reduced:	ClN5C17H18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	49.66
Dipole, Da:	5.11
IP(EA), eV:	-9.18(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,4aR,7aR,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

CN=C(N)/N=C(\N)/NC1=CC2=CC=CC=C2C3=CC=CC=C31.Cl

DOS

IR

Vibrations