Geometry & MOs

Info

ID:	133283
PubChem CID:	51504064
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	386.213147
ΔH_f, kcal/mol:	-8.79
Dipole, Da:	3.88
IP(EA), eV:	-8.69(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1R,5S)-8-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(2-fluorophenyl)-8-azoniabicyclo[3.2.1]octan-3-ol

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@@H]2C3=CC=CN3CCN2C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations