Geometry & MOs

Info

ID:	34209
PubChem CID:	7890300
Reduced:	F2N3O4H9C13 (1)
Stoich.:	A2B3C4D9E13 (1)
Weight, g/mol:	331.178358
ΔH_f, kcal/mol:	-130.97
Dipole, Da:	4.41
IP(EA), eV:	-9.62(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 3-hydroxybenzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])F

DOS

IR

Vibrations