Geometry & MOs

Info

ID:	267804
PubChem CID:	103589662
Reduced:	BrO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	353.99637
ΔH_f, kcal/mol:	8.87
Dipole, Da:	6.11
IP(EA), eV:	-9.78(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-bromo-5-nitrophenoxy)-2-(methoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)OC2=CC(=CC(=C2)[N+](=O)[O-])Br)N

DOS

IR

Vibrations