Geometry & MOs

Info

ID:	27758
PubChem CID:	823451
Reduced:	N2O2F3C17H19 (1)
Stoich.:	A2B2C3D17E19 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	-237.11
Dipole, Da:	6.42
IP(EA), eV:	-9.54(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6R,7R)-4-[(4-methoxyphenyl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)N[C@@H]2CC(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations