Geometry & MOs

Info

ID:	183968
PubChem CID:	77095722
Reduced:	FNO4C17H24 (1)
Stoich.:	ABC4D17E24 (1)
Weight, g/mol:	319.158372
ΔH_f, kcal/mol:	-214.67
Dipole, Da:	5.68
IP(EA), eV:	-9.07(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-4-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CN2CCC(CC2)F)OC(C)C(=O)O

DOS

IR

Vibrations