Geometry & MOs

Info

ID:	82746
PubChem CID:	49856443
Reduced:	ON4C24H24 (1)
Stoich.:	AB4C24D24 (1)
Weight, g/mol:	489.10117
ΔH_f, kcal/mol:	73.71
Dipole, Da:	2.97
IP(EA), eV:	-9.0(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-[[2-(5-bromofuran-2-yl)-1H-imidazo[4,5-b]pyridine-7-carbonyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)COCCN(CC3=CC=CC=N3)CC4=CC=CC=N4

DOS

IR

Vibrations