Geometry & MOs

Info

ID:	329442
PubChem CID:	126736749
Reduced:	O2F3N4C26H33 (1)
Stoich.:	A2B3C4D26E33 (1)
Weight, g/mol:	423.208883
ΔH_f, kcal/mol:	-215.87
Dipole, Da:	4.69
IP(EA), eV:	-8.38(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,5R)-8-[2-[tert-butyl(methyl)amino]-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-3-chloro-5-fluorobenzamide

Drug info:

PubChemData

Smile

CCN1C=C(C2=C(C=CC=C21)C)C(=O)NCC3CC4CCC(C3)N4CC(=O)NC5(CC5)C(F)(F)F

DOS

IR

Vibrations