Geometry & MOs

Info

ID:	286882
PubChem CID:	104223372
Reduced:	BrON4H9C10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	264.077789
ΔH_f, kcal/mol:	55.63
Dipole, Da:	5.72
IP(EA), eV:	-9.77(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(5-chloropyridin-3-yl)oxypyrimidin-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

C1=C(C=NC=C1Br)OC2=NC=C(C=N2)CN

DOS

IR

Vibrations