Geometry & MOs

Info

ID:	180706
PubChem CID:	76671980
Reduced:	FN3O4C26H28 (1)
Stoich.:	AB3C4D26E28 (1)
Weight, g/mol:	366.07404
ΔH_f, kcal/mol:	-146.95
Dipole, Da:	3.39
IP(EA), eV:	-9.0(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)ethyl]-2-fluoro-3H-pyridin-6-one;rhodium

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCCC2=CC=C(C=C2)C3=C(C=C(C=C3)N4CC(OC4=O)CNC(=O)C)F

DOS

IR

Vibrations