Geometry & MOs

Info

ID:	141817
PubChem CID:	52932584
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	594.285558
ΔH_f, kcal/mol:	46.72
Dipole, Da:	1.95
IP(EA), eV:	-8.57(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

CCC1=NC=C(C=C1)C2=C(N=C3N2N=CC=C3N4CCOCC4)C

DOS

IR

Vibrations