Geometry & MOs

Info

ID:	127537
PubChem CID:	51005350
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	299.224915
ΔH_f, kcal/mol:	-56.71
Dipole, Da:	3.41
IP(EA), eV:	-9.66(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R)-3-(2-methyl-1-phenylpropoxy)-8-prop-2-enyl-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C[C@@H]2CC(=O)NNC(=O)COC3=CC=C(C=C3)C#N

DOS

IR

Vibrations