Geometry & MOs

Info

ID:	269516
PubChem CID:	103617820
Reduced:	ClIN2O2C12H12 (1)
Stoich.:	ABC2D2E12F12 (1)
Weight, g/mol:	388.04479
ΔH_f, kcal/mol:	-56.7
Dipole, Da:	5.04
IP(EA), eV:	-9.9(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-fluoro-2-iodobenzamide

Drug info:

PubChemData

Smile

C1CN(CC1C(=O)N)C(=O)C2=C(C=CC(=C2)Cl)I

DOS

IR

Vibrations