Geometry & MOs

Info

ID:	146215
PubChem CID:	53651749
Reduced:	ON4C9H10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	572.361408
ΔH_f, kcal/mol:	79.13
Dipole, Da:	6.38
IP(EA), eV:	-9.46(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(4R,4aR,7aS,12bS)-3-(2-oxopropyl)-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxymethyl]-N-ethyl-8-phenyloctanamide

Drug info:

PubChemData

Smile

CC1=CN=CN1C2=NOC(=N2)C3CC3

DOS

IR

Vibrations