Geometry & MOs

Info

ID:	447221
PubChem CID:	135281293
Reduced:	Cl2O2N7C23H23 (1)
Stoich.:	A2B2C7D23E23 (1)
Weight, g/mol:	548.2415
ΔH_f, kcal/mol:	26.35
Dipole, Da:	9.18
IP(EA), eV:	-8.09(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-5-yl]piperidin-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations