Geometry & MOs

Info

ID:	17821
PubChem CID:	521949
Reduced:	BrNO5C17H22 (1)
Stoich.:	ABC5D17E22 (1)
Weight, g/mol:	399.06814
ΔH_f, kcal/mol:	-140.08
Dipole, Da:	6.68
IP(EA), eV:	-9.79(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9-methyl-9-oxido-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate;hydrobromide

Drug info:

PubChemData

Smile

C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)[O-].Br

DOS

IR

Vibrations