Geometry & MOs

Info

ID:	317320
PubChem CID:	126635615
Reduced:	N3O3C10H13 (1)
Stoich.:	A3B3C10D13 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-63.26
Dipole, Da:	3.82
IP(EA), eV:	-8.37(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC/C(=C/NN)/N)C(=O)O

DOS

IR

Vibrations