Geometry & MOs

Info

ID:	447238
PubChem CID:	135281378
Reduced:	ClSO4N5C23H28 (1)
Stoich.:	ABC4D5E23F28 (1)
Weight, g/mol:	551.252399
ΔH_f, kcal/mol:	-63.84
Dipole, Da:	8.38
IP(EA), eV:	-8.07(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperazin-1-yl]-8H-imidazo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)OCCN)C2=CN3C=CC(=CC3=N2)N4CCN(CC4)S(=O)(=O)C5CC5)Cl

DOS

IR

Vibrations