Geometry & MOs

Info

ID:	163932
PubChem CID:	74380896
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	563.1532
ΔH_f, kcal/mol:	-140.93
Dipole, Da:	5.07
IP(EA), eV:	-9.11(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2C3C(C1O2)C(=O)N(C3=O)N4CCOCC4

DOS

IR

Vibrations