Geometry & MOs

Info

ID:	441150
PubChem CID:	135233349
Reduced:	ClO4N6C30H39 (1)
Stoich.:	AB4C6D30E39 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-130.1
Dipole, Da:	4.34
IP(EA), eV:	-8.69(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpropyl)-5-[(1R)-2-(hydroxymethyl)cyclopropyl]-3-methylimidazo[4,5-b]pyridin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1C(C1C2=NC3=C(C=C2)N(C(=O)N3C)CC(C)(C)C)CC(C)(C)CN4C5=C(N=C(C=C5)Cl)N(C4=O)C

DOS

IR

Vibrations