Geometry & MOs

Info

ID:	59714
PubChem CID:	24894679
Reduced:	ON3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	412.285169
ΔH_f, kcal/mol:	36.15
Dipole, Da:	2.09
IP(EA), eV:	-8.25(0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-methyl-2-(2-methylprop-2-enyl)-2-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-hydroxy-2-phenylacetate

Drug info:

PubChemData

Smile

CCN(CC1=NC=CN1)C2=CC(=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations