Geometry & MOs

Info

ID:	163939
PubChem CID:	74381000
Reduced:	BrO3N4C28H29 (1)
Stoich.:	AB3C4D28E29 (1)
Weight, g/mol:	513.27399
ΔH_f, kcal/mol:	-6.58
Dipole, Da:	3.25
IP(EA), eV:	-9.08(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]-2-[(3-oxospiro[3.5]non-1-en-1-yl)amino]propanoic acid

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(=C(C2=O)Br)NC(CC3=CC=C(C=C3)N4C(=NC5=C4N=CC=C5)CC6CC6)C(=O)O

DOS

IR

Vibrations