Geometry & MOs

Info

ID:	18514
PubChem CID:	542100
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-80.67
Dipole, Da:	3.09
IP(EA), eV:	-9.01(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-hydroxy-2,3,4,4a,5,6,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Drug info:

PubChemData

Smile

C1CC(=O)C2C34C1C(CC5=C3C(=CC(=C5)O)O2)NCC4

DOS

IR

Vibrations