Geometry & MOs

Info

ID:	80062
PubChem CID:	49832625
Reduced:	BrON8C30H35 (1)
Stoich.:	ABC8D30E35 (1)
Weight, g/mol:	603.19574
ΔH_f, kcal/mol:	82.7
Dipole, Da:	6.79
IP(EA), eV:	-7.8(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-quinolin-7-yloxypyrimidin-2-amine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC6=C(C=CC=N6)C=C5)Br)OC

DOS

IR

Vibrations