Geometry & MOs

Info

ID:	3729
PubChem CID:	10078
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-67.67
Dipole, Da:	1.66
IP(EA), eV:	-8.38(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

Drug info:

PubChemData

Smile

COC1=C2C3=C(C[C@H]4C5[C@]3(CCN4)C(O2)C(C=C5)O)C=C1

DOS

IR

Vibrations