Geometry & MOs

Info

ID:	43334
PubChem CID:	10321145
Reduced:	O2N4C27H30 (1)
Stoich.:	A2B4C27D30 (1)
Weight, g/mol:	442.259343
ΔH_f, kcal/mol:	-23.23
Dipole, Da:	2.92
IP(EA), eV:	-8.49(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperazin-1-yl)propyl]-4-[2-(6-methylpyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CC2C(=O)N(C3(CCN(CC3)C4=CC=CC=C4)C(=O)N2C1)CCC5=CNC6=CC=CC=C65

DOS

IR

Vibrations