Geometry & MOs

Info

ID:	447213
PubChem CID:	135281223
Reduced:	ClIN4O4C20H20 (1)
Stoich.:	ABC4D4E20F20 (1)
Weight, g/mol:	459.167332
ΔH_f, kcal/mol:	-72.99
Dipole, Da:	7.1
IP(EA), eV:	-8.26(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]ethylcarbamic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2=C(N3C=CC(=CC3=N2)N4CCN(CC4)C(=O)O)I)Cl)OC

DOS

IR

Vibrations