Geometry & MOs

Info

ID:	179255
PubChem CID:	76456348
Reduced:	O2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	648.356323
ΔH_f, kcal/mol:	-19.67
Dipole, Da:	3.12
IP(EA), eV:	-8.94(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-oxopropyl)-7-[phenacyl(6-phenylhexyl)amino]-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] acetate

Drug info:

PubChemData

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CC(C(=O)OCC1=CN=CC=C1)NC2=CN=CC=C2

DOS

IR

Vibrations