Geometry & MOs

Info

ID:	49444
PubChem CID:	11533031
Reduced:	BrNO3C25H34 (1)
Stoich.:	ABC3D25E34 (1)
Weight, g/mol:	396.253869
ΔH_f, kcal/mol:	-99.45
Dipole, Da:	15.44
IP(EA), eV:	-7.46(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-1,1-bis(2-methoxyphenyl)ethanol

Drug info:

PubChemData

Smile

C[N+]1(C2CCC1CC(C2)CC(C3=CC=CC=C3OC)(C4=CC=CC=C4OC)O)C.[Br-]

DOS

IR

Vibrations