Geometry & MOs

Info

ID:	197713
PubChem CID:	78988593
Reduced:	BrO2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	263.14339
ΔH_f, kcal/mol:	-9.93
Dipole, Da:	3.28
IP(EA), eV:	-8.72(-0.94)
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)-2-fluoropyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Br)C(=O)NC2=CNN=C2

DOS

IR

Vibrations