Geometry & MOs

Info

ID:	964
PubChem CID:	3592
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-166.66
Dipole, Da:	2.66
IP(EA), eV:	-8.74(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CCN3C

DOS

IR

Vibrations