Geometry & MOs

Info

ID:	392584
PubChem CID:	135017278
Reduced:	FN2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	314.143056
ΔH_f, kcal/mol:	-99.93
Dipole, Da:	1.29
IP(EA), eV:	-9.52(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-11-benzyl-4-fluoro-7,11-diazatricyclo[7.3.1.02,7]tridec-3-ene-6,12-dione

Drug info:

PubChemData

Smile

C1CC(=O)N(CC1CN2C=CC(=CC2=O)F)CC3=CC=CC=C3

DOS

IR

Vibrations