Geometry & MOs

Info

ID:	441909
PubChem CID:	135246602
Reduced:	BrNO2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	309.122575
ΔH_f, kcal/mol:	-29.11
Dipole, Da:	3.08
IP(EA), eV:	-9.12(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(2-methoxypyridin-3-yl)pyridin-2-yl]oxy-N-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)OC2=CC=C(C=C2)CCCO)Br

DOS

IR

Vibrations