Geometry & MOs

Info

ID:	329431
PubChem CID:	126736673
Reduced:	ClFO2N3C21H29 (1)
Stoich.:	ABC2D3E21F29 (1)
Weight, g/mol:	423.172498
ΔH_f, kcal/mol:	-151.84
Dipole, Da:	5.54
IP(EA), eV:	-9.2(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1C2CCC1CC(C2)CNC(=O)C3=CC(=CC(=C3)Cl)F

DOS

IR

Vibrations