Geometry & MOs

Info

ID:	329434
PubChem CID:	126736677
Reduced:	ClFN3O3C21H27 (1)
Stoich.:	ABC3D3E21F27 (1)
Weight, g/mol:	302.235814
ΔH_f, kcal/mol:	-159.13
Dipole, Da:	2.83
IP(EA), eV:	-9.25(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1(COC1)NC(=O)CN2C3CCC2CC(C3)CNC(=O)C4=CC(=CC(=C4)Cl)F

DOS

IR

Vibrations