Geometry & MOs

Info

ID:	336352
PubChem CID:	127255359
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	437.10491
ΔH_f, kcal/mol:	-36.51
Dipole, Da:	1.63
IP(EA), eV:	-7.98(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate;trihydrate;hydrobromide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)OC)NC(=O)NC2=CC3=C(C=C2)N(C=C3)C

DOS

IR

Vibrations