Geometry & MOs

Info

ID:	340286
PubChem CID:	127262297
Reduced:	ClNO2C7H14 (1)
Stoich.:	ABC2D7E14 (1)
Weight, g/mol:	453.160994
ΔH_f, kcal/mol:	-146.05
Dipole, Da:	7.8
IP(EA), eV:	-10.1(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C[C@]1(CCC[C@H]1C(=O)O)N.Cl

DOS

IR

Vibrations