Geometry & MOs

Info

ID:	163811
PubChem CID:	74380488
Reduced:	ON3C25H35 (1)
Stoich.:	AB3C25D35 (1)
Weight, g/mol:	549.13755
ΔH_f, kcal/mol:	-8.89
Dipole, Da:	4.76
IP(EA), eV:	-7.87(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-3-oxo-7-azaspiro[3.5]non-1-en-1-yl)amino]-3-[4-[2-(cyclopropylmethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)N(C)C)C(=O)C=CC(C)C

DOS

IR

Vibrations