Geometry & MOs

Info

ID:	134265
PubChem CID:	51670988
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	407.209658
ΔH_f, kcal/mol:	0.82
Dipole, Da:	11.65
IP(EA), eV:	-8.56(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione

Drug info:

PubChemData

Smile

C1=CN=CC=C1C2=NOC(=C2CCC[NH3+])[O-]

DOS

IR

Vibrations