Geometry & MOs

Info

ID:	405338
PubChem CID:	135073562
Reduced:	BrOC11H17 (1)
Stoich.:	ABC11D17 (1)
Weight, g/mol:	389.162708
ΔH_f, kcal/mol:	-40.3
Dipole, Da:	2.84
IP(EA), eV:	-9.6(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CC(/C/1=C(\CCCCCC1)/Br)O

DOS

IR

Vibrations