Geometry & MOs

Info

ID:	125740
PubChem CID:	50936442
Reduced:	NO2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	329.259289
ΔH_f, kcal/mol:	-152.12
Dipole, Da:	4.67
IP(EA), eV:	-8.82(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]benzamide

Drug info:

PubChemData

Smile

CCCCN(C1C[C@H]2CC[C@H](C1)N2C)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations