Geometry & MOs

Info

ID:	26492
PubChem CID:	650391
Reduced:	N3O3H17C19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	460.192899
ΔH_f, kcal/mol:	-82.33
Dipole, Da:	1.95
IP(EA), eV:	-8.84(-0.79)
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;hydron;chloride

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC(=O)C2=C(N3CCCC4=C3C(=CC=C4)C2=O)O

DOS

IR

Vibrations