Geometry & MOs

Info

ID:	26493
PubChem CID:	650424
Reduced:	ClFN2O3C25H30 (1)
Stoich.:	ABC2D3E25F30 (1)
Weight, g/mol:	424.216221
ΔH_f, kcal/mol:	-86.89
Dipole, Da:	5.32
IP(EA), eV:	-8.24(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide

Drug info:

PubChemData

Smile

[H+].CN1C2CCC1C=C(C2)N(CCC3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=C(C=C4)F.[Cl-]

DOS

IR

Vibrations