Geometry & MOs

Info

ID:	447222
PubChem CID:	135281299
Reduced:	ClO2N8C28H33 (1)
Stoich.:	AB2C8D28E33 (1)
Weight, g/mol:	460.13359
ΔH_f, kcal/mol:	39.96
Dipole, Da:	7.77
IP(EA), eV:	-7.95(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-methoxy-4-methylphenyl)-7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2=CN3C=CC(=CC3=N2)N4CCN(CC4)C5=NC=C(C=N5)N6CCC(CC6)N)Cl)OC

DOS

IR

Vibrations