Geometry & MOs

Info

ID:	3982
PubChem CID:	10532
Reduced:	BrNO3C30H34 (1)
Stoich.:	ABC3D30E34 (1)
Weight, g/mol:	535.17221
ΔH_f, kcal/mol:	-70.79
Dipole, Da:	13.74
IP(EA), eV:	-7.48(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;bromide

Drug info:

PubChemData

Smile

C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)CC4=CC=C(C=C4)C5=CC=CC=C5.[Br-]

DOS

IR

Vibrations