Geometry & MOs

Info

ID:	246129
PubChem CID:	103045653
Reduced:	OSN4H12C13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	315.99597
ΔH_f, kcal/mol:	68.84
Dipole, Da:	5.66
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-quinolin-5-yloxypyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=C(N=NS1)COC2=CC=CC3=C2C=CC=N3

DOS

IR

Vibrations