Geometry & MOs

Info

ID:	79738
PubChem CID:	49830199
Reduced:	O2N3C29H33 (1)
Stoich.:	A2B3C29D33 (1)
Weight, g/mol:	333.172879
ΔH_f, kcal/mol:	-15.85
Dipole, Da:	5.95
IP(EA), eV:	-8.05(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-8-benzylidene-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CCCN4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations