Geometry & MOs

Info

ID:	7602
PubChem CID:	73473
Reduced:	ClNO3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	373.144471
ΔH_f, kcal/mol:	-92.16
Dipole, Da:	3.98
IP(EA), eV:	-8.65(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aR,7aS,12bS)-3-(furan-3-ylmethyl)-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol;hydrochloride

Drug info:

PubChemData

Smile

C1C[C@H]2[C@@H]3CC4=C5[C@@]2(CCN3CC6=COC=C6)[C@H](C1)OC5=C(C=C4)O.Cl

DOS

IR

Vibrations