Geometry & MOs

Info

ID:	259881
PubChem CID:	103176292
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	350.07422
ΔH_f, kcal/mol:	-4.05
Dipole, Da:	7.61
IP(EA), eV:	-8.97(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(2-ethyl-6-methylpyridin-3-yl)oxy-N-propylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=N1)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC

DOS

IR

Vibrations