Geometry & MOs

Info

ID:	233443
PubChem CID:	90944504
Reduced:	F3O3N4C20H24 (2)
Stoich.:	A3B3C4D20E24 (2)
Weight, g/mol:	121.089149
ΔH_f, kcal/mol:	-543.85
Dipole, Da:	6.27
IP(EA), eV:	-8.75(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,5,6-tetrahydroindolizine

Drug info:

PubChemData

Smile

COC(=O)NC(CC(F)(F)F)C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C45CCC(CC4)(CC5)C6=CN=C(N6)C7CCCN7C(=O)C(CC(F)(F)F)NC(=O)OC

DOS

IR

Vibrations