Geometry & MOs

Info

ID:	6438
PubChem CID:	68619
Reduced:	BrNO3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	379.07831
ΔH_f, kcal/mol:	-26.99
Dipole, Da:	4.18
IP(EA), eV:	-8.55(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC[C@]23[C@@H]4[C@@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.Br

DOS

IR

Vibrations