Geometry & MOs

Info

ID:	329437
PubChem CID:	126736702
Reduced:	O3N4C25H36 (1)
Stoich.:	A3B4C25D36 (1)
Weight, g/mol:	425.188148
ΔH_f, kcal/mol:	-117.79
Dipole, Da:	7.74
IP(EA), eV:	-8.81(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-fluoro-N-[[(1S,5R)-8-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(COC)NC(=O)CN1C2CCC1CC(C2)CNC(=O)C3=CN(C4=CC=CC=C43)C

DOS

IR

Vibrations