Geometry & MOs

Info

ID:	84650
PubChem CID:	49869117
Reduced:	NO4C25H33 (1)
Stoich.:	AB4C25D33 (1)
Weight, g/mol:	411.240959
ΔH_f, kcal/mol:	-92.09
Dipole, Da:	3.95
IP(EA), eV:	-8.72(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(7aR)-3-methyl-7-oxo-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] 2-ethylhexanoate

Drug info:

PubChemData

Smile

CCCCCCCC(=O)OC1=C2C3=C(CC4C5C3(CCN4C)[C@@H](O2)C(=O)CC5)C=C1

DOS

IR

Vibrations