Geometry & MOs

Info

ID:	3958
PubChem CID:	10498
Reduced:	NO4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	313.131408
ΔH_f, kcal/mol:	-81.91
Dipole, Da:	7.31
IP(EA), eV:	-8.57(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aS,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Drug info:

PubChemData

Smile

CN1CC[C@]23C4C(=O)C=C[C@]2([C@@H]1CC5=C3C(=C(C=C5)OC)O4)O

DOS

IR

Vibrations