Geometry & MOs

Info

ID:	329438
PubChem CID:	126736720
Reduced:	ClFN3O3C21H29 (1)
Stoich.:	ABC3D3E21F29 (1)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	-192.19
Dipole, Da:	3.84
IP(EA), eV:	-9.21(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-5-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CO)NC(=O)CN1[C@@H]2CC[C@H]1CC(C2)CNC(=O)C3=CC(=CC(=C3)Cl)F

DOS

IR

Vibrations