Geometry & MOs

Info

ID:	447214
PubChem CID:	135281228
Reduced:	ClO4N5C22H26 (1)
Stoich.:	AB4C5D22E26 (1)
Weight, g/mol:	531.134318
ΔH_f, kcal/mol:	-93.04
Dipole, Da:	2.91
IP(EA), eV:	-8.01(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2,4-dimethoxyphenyl)-7-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]oxyimidazo[1,2-a]pyridine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2=CN3C=CC(=CC3=N2)N4CCN(CC4)CCNC(=O)O)Cl)OC

DOS

IR

Vibrations