Geometry & MOs

Info

ID:	329424
PubChem CID:	126736581
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	389.21147
ΔH_f, kcal/mol:	-110.05
Dipole, Da:	6.46
IP(EA), eV:	-9.18(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[[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=CC4=CC=CC=C4O3

DOS

IR

Vibrations