Geometry & MOs

Info

ID:	59384
PubChem CID:	24847201
Reduced:	OSN3H9C13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	394.238219
ΔH_f, kcal/mol:	78.52
Dipole, Da:	6.51
IP(EA), eV:	-9.12(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2=NN=C(N2C3=CC=CC=C3S1)C4=CC=CO4

DOS

IR

Vibrations