Geometry & MOs

Info

ID:	149994
PubChem CID:	53789677
Reduced:	O3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	-140.64
Dipole, Da:	4.21
IP(EA), eV:	-9.7(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7aR,12bS)-9-methoxy-3-methyl-1,2,4,6,7a,10,11,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Drug info:

PubChemData

Smile

C(CCC=O)CC=CCCCCC(=O)O

DOS

IR

Vibrations