Geometry & MOs

Info

ID:	184874
PubChem CID:	77222527
Reduced:	ON3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	420.11609
ΔH_f, kcal/mol:	5.51
Dipole, Da:	5.13
IP(EA), eV:	-8.88(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-(cyclohexen-1-yl)-1-[2-(3-methylmorpholin-4-yl)ethyl]imidazo[4,5-b]pyridin-2-one

Drug info:

PubChemData

Smile

CC1COCCN1CCN2C3=C(NC2=O)N=CC(=C3)C4=CN=C5C(=C4)C=CN5

DOS

IR

Vibrations